General Information of the Compound
| Compound ID |
CP0551799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[4-[2-(3,4-dichlorophenyl)ethylcarbamoyl]benzoyl]isoquinolin-4-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H20Cl2N2O4
|
||||||||||||||||||
| Molecular Weight |
507.373
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(cc2)C(=O)NCCc2ccc(Cl)c(Cl)c2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H20Cl2N2O4/c28-22-10-5-16(13-23(22)29)11-12-30-27(35)18-8-6-17(7-9-18)26(34)25-21-4-2-1-3-20(21)19(15-31-25)14-24(32)33/h1-10,13,15H,11-12,14H2,(H,30,35)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DEKAJKZBTSPPSU-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