Drug Name |
US8598210, Table XV, 4
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Synonyms |
US8722895, 4: [(3-Hydroxy-5-(4-methylphenyl)pyridine-2- carbonyl)amino]-acetic acid; SCHEMBL1923034; CHEMBL3646215; BDBM107698; US8598210, Table XV, 4 |
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) |
286.28 |
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Logarithm of the Partition Coefficient (xlogp) |
2.2 |
Rotatable Bond Count (rotbonds) |
4 |
Hydrogen Bond Donor Count (hbonddonor) |
3 |
Hydrogen Bond Acceptor Count (hbondacc) |
5 |
Chemical Identifiers |
- Formula
- C15H14N2O4
- IUPAC Name
2-[[3-hydroxy-5-(4-methylphenyl)pyridine-2-carbonyl]amino]acetic acid
- Canonical SMILES
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CC1=CC=C(C=C1)C2=CC(=C(N=C2)C(=O)NCC(=O)O)O
- InChI
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InChI=1S/C15H14N2O4/c1-9-2-4-10(5-3-9)11-6-12(18)14(16-7-11)15(21)17-8-13(19)20/h2-7,18H,8H2,1H3,(H,17,21)(H,19,20)
- InChIKey
-
VBNCAZJDNCXKIO-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 24891734
- TTD ID
- D01XZT
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