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CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)C[C@@H](C(=O)N3CC(N(C)C)C3)N(C(C)C)C4)n[nH]c2c1 | What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown. | Small molecule |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | How many aromatic rings does this compound have? | 0 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | What is the polar surface area (PSA) value of this compound? | 57.53 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown. | Phase 2 Clinical Trials |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Does this compound satisfy the rule-of-three criteria? | No |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)? | 3 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality. | Racemic mixture |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Is it known whether this drug is administered parenterally? | No |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Is it known whether this drug is applied topically? | No |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Please provide a description of this drug's mechanism of action. | Cell membrane disrupting agent |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | What is the molecular weight of this compound's parent molecule? | 298.47 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Is this compound a small molecule polymer, such as polystyrene sulfonate? | No |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | What is the calculated ALogP value for this compound? | 5.08 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Is this molecule characterized by a small molecular structure or a protein sequence? | It has a small molecule structure. |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms. | No |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications? | No |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | What is the molecular formula of this compound, including any salt that it may have? | C18H34O3 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound? | 1 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Is there a black box warning associated with this drug? | No |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Determine the type of availability for this drug. | unknown |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | How many heavy (non-hydrogen) atoms does this compound have? | 21 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target? | No |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | How many rotatable bonds does this compound have? | 15 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)? | No |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | How many hydrogen bond donors does this compound have? | 2 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Is this compound an acid, a base, or neutral? | ACID |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Is it known whether this drug is taken orally? | No |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Is the drug administered in this specific form, such as a particular salt? | No |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | How many hydrogen bond acceptors does this compound have? | 2 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | Determine if this compound is a prodrug. | No |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)? | 2 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts? | 1 |
CCCCCCCCC=CCCCCCCC(O)C(=O)O | What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown. | Small molecule |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | How many aromatic rings does this compound have? | 0 |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality. | Single stereoisomer |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Does this compound satisfy the rule-of-three criteria? | No |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)? | 9 |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Is it known whether this drug is administered parenterally? | No |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Is it known whether this drug is applied topically? | No |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | How many hydrogen bond acceptors does this compound have? | 7 |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Please provide a description of this drug's mechanism of action. | DNA disrupting agent |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Is this compound a small molecule polymer, such as polystyrene sulfonate? | No |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Is this molecule characterized by a small molecular structure or a protein sequence? | It has a small molecule structure. |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown. | Phase 3 Clinical Trials |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms. | No |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications? | No |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Which USAN substem can this drug or clinical candidate name be matched with? | -fos-; -fosfamide |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | What is the calculated ALogP value for this compound? | -1.43 |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | How many hydrogen bond donors does this compound have? | 6 |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound? | 1 |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Is there a black box warning associated with this drug? | No |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Determine the type of availability for this drug. | unknown |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target? | No |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | How many rotatable bonds does this compound have? | 9 |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)? | 6 |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)? | No |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Is it known whether this drug is taken orally? | No |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Is the drug administered in this specific form, such as a particular salt? | No |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Is this compound an acid, a base, or neutral? | NEUTRAL |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | What is the molecular weight of this compound's parent molecule? | 383.17 |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts? | 1 |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | What is the definition of this compound's USAN stem? | phosphoro-derivatives; isophosphoramide mustard derivatives |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | What is the polar surface area (PSA) value of this compound? | 140.51 |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | What is the molecular formula of this compound, including any salt that it may have? | C10H21Cl2N2O7P |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown. | Small molecule |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Determine if this compound is a prodrug. | Yes |
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | How many heavy (non-hydrogen) atoms does this compound have? | 22 |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | How many rotatable bonds does this compound have? | 4 |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)? | 0 |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown. | Phase 2 Clinical Trials |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Does this compound satisfy the rule-of-three criteria? | No |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts? | 0 |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Is it known whether this drug is administered parenterally? | No |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Is it known whether this drug is applied topically? | No |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | What is the polar surface area (PSA) value of this compound? | 0 |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | What is the calculated ALogP value for this compound? | 4.45 |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Is this compound a small molecule polymer, such as polystyrene sulfonate? | No |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Is this molecule characterized by a small molecular structure or a protein sequence? | It has a small molecule structure. |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | How many hydrogen bond donors does this compound have? | 0 |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms. | No |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications? | No |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality. | Unknown chirality |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Is there a black box warning associated with this drug? | No |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Determine the type of availability for this drug. | unknown |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target? | No |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | How many hydrogen bond acceptors does this compound have? | 0 |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)? | 0 |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)? | No |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound? | 0 |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Is it known whether this drug is taken orally? | No |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Is the drug administered in this specific form, such as a particular salt? | No |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | How many aromatic rings does this compound have? | 4 |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | What is the molecular formula of this compound, including any salt that it may have? | C24H19FP+ |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown. | Small molecule |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | How many heavy (non-hydrogen) atoms does this compound have? | 26 |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Please provide a description of this drug's mechanism of action. | Diagnostic |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | Determine if this compound is a prodrug. | No |
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | What is the molecular weight of this compound's parent molecule? | 357.39 |
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O | How many rotatable bonds does this compound have? | 4 |
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O | Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality. | Single stereoisomer |
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