General Information of the Compound
| Compound ID |
CP0392650
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[4-[(4-phenoxybenzoyl)amino]benzoyl]isoquinolin-4-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H22N2O5
|
||||||||||||||||||
| Molecular Weight |
502.526
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H22N2O5/c34-28(35)18-22-19-32-29(27-9-5-4-8-26(22)27)30(36)20-10-14-23(15-11-20)33-31(37)21-12-16-25(17-13-21)38-24-6-2-1-3-7-24/h1-17,19H,18H2,(H,33,37)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPNIPRWDFASVEP-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound