Drug Name |
US8598210, Table XV, 2
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Synonyms |
US8722895, 2: {[5-(4-Chloro-phenyl)-3-hydroxy-pyridine- 2-carbonyl]-amino}-acetic acid methyl ester; SCHEMBL1921358; CHEMBL3646213; BDBM107696; US8598210, Table XV, 2 |
Drug Type |
Small molecular drug
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Structure |
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3D MOL
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2D MOL
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#Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
320.73 |
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Logarithm of the Partition Coefficient (xlogp) |
2.8 |
Rotatable Bond Count (rotbonds) |
5 |
Hydrogen Bond Donor Count (hbonddonor) |
2 |
Hydrogen Bond Acceptor Count (hbondacc) |
5 |
Chemical Identifiers |
- Formula
- C15H13ClN2O4
- IUPAC Name
methyl 2-[[5-(4-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
- Canonical SMILES
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COC(=O)CNC(=O)C1=C(C=C(C=N1)C2=CC=C(C=C2)Cl)O
- InChI
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InChI=1S/C15H13ClN2O4/c1-22-13(20)8-18-15(21)14-12(19)6-10(7-17-14)9-2-4-11(16)5-3-9/h2-7,19H,8H2,1H3,(H,18,21)
- InChIKey
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BYGKIXAXITXFDW-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 24891583
- TTD ID
- D00ECX
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