| Drug Name |
US8921389, 22
|
| Synonyms |
CHEMBL3639707; SCHEMBL12503102; DKTMWXXXKCITJR-UHFFFAOYSA-N; BDBM141566; US8921389, 22; 3-[(1,3-Dibenzyl-5-hydroxy-2-oxo-8-pyridin-3-yl-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-propionic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
534.6 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.8 |
| Rotatable Bond Count (rotbonds) |
9 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C31H26N4O5
- IUPAC Name
3-[(1,3-dibenzyl-5-hydroxy-2-oxo-8-pyridin-3-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid - Canonical SMILES
-
C1=CC=C(C=C1)CC2=CC3=C(C(=NC(=C3O)C(=O)NCCC(=O)O)C4=CN=CC=C4)N(C2=O)CC5=CC=CC=C5
- InChI
-
InChI=1S/C31H26N4O5/c36-25(37)13-15-33-30(39)27-29(38)24-17-23(16-20-8-3-1-4-9-20)31(40)35(19-21-10-5-2-6-11-21)28(24)26(34-27)22-12-7-14-32-18-22/h1-12,14,17-18,38H,13,15-16,19H2,(H,33,39)(H,36,37)
- InChIKey
-
DKTMWXXXKCITJR-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 60152635
- TTD ID
- D0I4PX
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