| Drug Name |
US8921389, 123
|
| Synonyms |
SCHEMBL12502342; CHEMBL3639708; CJDQJFHCXLGXOK-UHFFFAOYSA-N; BDBM141666; US8921389, 123; 3-[(1-Benzyl-5-hydroxy-2-oxo-3-phenethyl-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-propionic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
471.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.5 |
| Rotatable Bond Count (rotbonds) |
9 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C27H25N3O5
- IUPAC Name
3-[[1-benzyl-5-hydroxy-2-oxo-3-(2-phenylethyl)-1,7-naphthyridine-6-carbonyl]amino]propanoic acid - Canonical SMILES
-
C1=CC=C(C=C1)CCC2=CC3=C(C(=NC=C3N(C2=O)CC4=CC=CC=C4)C(=O)NCCC(=O)O)O
- InChI
-
InChI=1S/C27H25N3O5/c31-23(32)13-14-28-26(34)24-25(33)21-15-20(12-11-18-7-3-1-4-8-18)27(35)30(22(21)16-29-24)17-19-9-5-2-6-10-19/h1-10,15-16,33H,11-14,17H2,(H,28,34)(H,31,32)
- InChIKey
-
CJDQJFHCXLGXOK-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 60151541
- TTD ID
- D0Y3NI
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