| Drug Name |
US8921389, 1
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| Synonyms |
CHEMBL3671864; SCHEMBL12503126; RKTAODJRDMTRFE-UHFFFAOYSA-N; BDBM141545; US8921389, 1; [(1-Benzyl-5-hydroxy-2-oxo-1,2,3,4-tetrahydro-[1,7]naphthyridine-6-carbonyl)-amino]-acetic acid; [(1-Benzyl-5-hydroxy-2-oxo-1,2,3,4-tetrahydro-[1,7]naphthyridine-6-carbonyl)-amino]acetic acid
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| 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) |
355.3 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.1 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C18H17N3O5
- IUPAC Name
2-[(1-benzyl-5-hydroxy-2-oxo-3,4-dihydro-1,7-naphthyridine-6-carbonyl)amino]acetic acid - Canonical SMILES
-
C1CC(=O)N(C2=CN=C(C(=C21)O)C(=O)NCC(=O)O)CC3=CC=CC=C3
- InChI
-
InChI=1S/C18H17N3O5/c22-14-7-6-12-13(21(14)10-11-4-2-1-3-5-11)8-19-16(17(12)25)18(26)20-9-15(23)24/h1-5,8,25H,6-7,9-10H2,(H,20,26)(H,23,24)
- InChIKey
-
RKTAODJRDMTRFE-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 60152762
- TTD ID
- D0YY5J
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