| Drug Name |
US9340511, 7
|
| Synonyms |
SCHEMBL522957; CHEMBL3960288; AWHJVFRHVNXXDF-UHFFFAOYSA-N; BDBM227558; US9340511, 7; 2-[4-hydroxy-1-methyl-7-(3,5-difluoro-phenoxy)-isoquinoline-3-carboxamido]acetic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
388.3 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.6 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
8 |
| Chemical Identifiers |
- Formula
- C19H14F2N2O5
- IUPAC Name
2-[[7-(3,5-difluorophenoxy)-4-hydroxy-1-methylisoquinoline-3-carbonyl]amino]acetic acid - Canonical SMILES
-
CC1=C2C=C(C=CC2=C(C(=N1)C(=O)NCC(=O)O)O)OC3=CC(=CC(=C3)F)F
- InChI
-
InChI=1S/C19H14F2N2O5/c1-9-15-7-12(28-13-5-10(20)4-11(21)6-13)2-3-14(15)18(26)17(23-9)19(27)22-8-16(24)25/h2-7,26H,8H2,1H3,(H,22,27)(H,24,25)
- InChIKey
-
AWHJVFRHVNXXDF-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 11176709
- TTD ID
- D0V6AZ
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