| Drug Name |
US8598210, Table XV, 5
|
| Synonyms |
US8722895, 5: [(3-Hydroxy-4'-methyl-biphenyl-4- carbonyl)-amino]-acetic acid; SCHEMBL1921403; CHEMBL3646216; BDBM107699; US8598210, Table XV, 5 |
| 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) |
285.29 |
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| Logarithm of the Partition Coefficient (xlogp) |
2.9 |
| Rotatable Bond Count (rotbonds) |
4 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C16H15NO4
- IUPAC Name
2-[[2-hydroxy-4-(4-methylphenyl)benzoyl]amino]acetic acid
- Canonical SMILES
-
CC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)NCC(=O)O)O
- InChI
-
InChI=1S/C16H15NO4/c1-10-2-4-11(5-3-10)12-6-7-13(14(18)8-12)16(21)17-9-15(19)20/h2-8,18H,9H2,1H3,(H,17,21)(H,19,20)
- InChIKey
-
POKDHYRFSOQLCV-UHFFFAOYSA-N
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| Cross-matching ID |
- PubChem CID
- 24891042
- TTD ID
- D00XHH
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