General Information of the Compound
| Compound ID |
CP0386063
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[4-[[4-(trifluoromethoxy)benzoyl]amino]benzoyl]isoquinolin-4-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H17F3N2O5
|
||||||||||||||||||
| Molecular Weight |
494.425
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H17F3N2O5/c27-26(28,29)36-19-11-7-16(8-12-19)25(35)31-18-9-5-15(6-10-18)24(34)23-21-4-2-1-3-20(21)17(14-30-23)13-22(32)33/h1-12,14H,13H2,(H,31,35)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSZLUFWXFPFMMY-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