| Drug Name |
US9340511, 5
|
| Synonyms |
SCHEMBL523724; CHEMBL3970151; JPXYINYXIDIDQY-UHFFFAOYSA-N; BDBM227556; US9340511, 5; 2-[4-hydroxy-1-methyl-7-(4-methoxy-phenoxy)-isoquinoline-3-carboxamido]acetic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
382.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.4 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C20H18N2O6
- IUPAC Name
2-[[4-hydroxy-7-(4-methoxyphenoxy)-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=C(C=C3)OC
- InChI
-
InChI=1S/C20H18N2O6/c1-11-16-9-14(28-13-5-3-12(27-2)4-6-13)7-8-15(16)19(25)18(22-11)20(26)21-10-17(23)24/h3-9,25H,10H2,1-2H3,(H,21,26)(H,23,24)
- InChIKey
-
JPXYINYXIDIDQY-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 11440448
- TTD ID
- D0LO2C
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