| Drug Name |
US9340511, 2
|
| Synonyms |
SCHEMBL522741; CHEMBL3962368; ZLDYCVXVGXUSBB-UHFFFAOYSA-N; BDBM227554; US9340511, 2; 2-(4-hydroxy-1-methyl-6-phenoxyisoquinoline-3-carboxamido)acetic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
352.3 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.4 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C19H16N2O5
- IUPAC Name
2-[(4-hydroxy-1-methyl-6-phenoxyisoquinoline-3-carbonyl)amino]acetic acid - Canonical SMILES
-
CC1=C2C=CC(=CC2=C(C(=N1)C(=O)NCC(=O)O)O)OC3=CC=CC=C3
- InChI
-
InChI=1S/C19H16N2O5/c1-11-14-8-7-13(26-12-5-3-2-4-6-12)9-15(14)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)
- InChIKey
-
ZLDYCVXVGXUSBB-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 11462288
- TTD ID
- D0D8AV
|
|
|
|
|
|
|
|
