| Drug Name |
US8921389, 2
|
| Synonyms |
SCHEMBL12502926; CHEMBL3671865; WGLKJEAEYYHYAM-UHFFFAOYSA-N; BDBM141546; US8921389, 2; [(1-Benzyl-5-hydroxy-3-methyl-2-oxo-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-acetic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
367.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.7 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C19H17N3O5
- IUPAC Name
2-[(1-benzyl-5-hydroxy-3-methyl-2-oxo-1,7-naphthyridine-6-carbonyl)amino]acetic acid - Canonical SMILES
-
CC1=CC2=C(C(=NC=C2N(C1=O)CC3=CC=CC=C3)C(=O)NCC(=O)O)O
- InChI
-
InChI=1S/C19H17N3O5/c1-11-7-13-14(22(19(11)27)10-12-5-3-2-4-6-12)8-20-16(17(13)25)18(26)21-9-15(23)24/h2-8,25H,9-10H2,1H3,(H,21,26)(H,23,24)
- InChIKey
-
WGLKJEAEYYHYAM-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 60152763
- TTD ID
- D04YMG
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