| Drug Name |
US8921389, 210
|
| Synonyms |
SCHEMBL12502343; CHEMBL3639757; VSKYLKKDQYXUIH-UHFFFAOYSA-N; BDBM141750; US8921389, 210; 3-{[1-Benzyl-5-hydroxy-2-oxo-3-(2-trifluoromethyl-phenyl)-1,2-dihydro-[1,7]naphthyridine-6-carbonyl]-amino}-propionic acid
|
| Drug Type |
Small molecular drug
|
| Structure |
|
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|
3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
511.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.8 |
| Rotatable Bond Count (rotbonds) |
7 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C26H20F3N3O5
- IUPAC Name
3-[[1-benzyl-5-hydroxy-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,7-naphthyridine-6-carbonyl]amino]propanoic acid - Canonical SMILES
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C1=CC=C(C=C1)CN2C3=CN=C(C(=C3C=C(C2=O)C4=CC=CC=C4C(F)(F)F)O)C(=O)NCCC(=O)O
- InChI
-
InChI=1S/C26H20F3N3O5/c27-26(28,29)19-9-5-4-8-16(19)17-12-18-20(32(25(17)37)14-15-6-2-1-3-7-15)13-31-22(23(18)35)24(36)30-11-10-21(33)34/h1-9,12-13,35H,10-11,14H2,(H,30,36)(H,33,34)
- InChIKey
-
VSKYLKKDQYXUIH-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 60152500
- TTD ID
- D02IRO
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