General Information of the Compound
| Compound ID |
CP0536625
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2-chloropyridin-3-yl)-4-(cyanomethyl)-1H-pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H14Cl3N5O
|
||||||||||||||||||
| Molecular Weight |
482.758
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)Nc1cccnc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H14Cl3N5O/c24-15-9-7-14(8-10-15)21-16(11-12-27)20(23(32)29-18-5-3-13-28-22(18)26)30-31(21)19-6-2-1-4-17(19)25/h1-10,13H,11H2,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ARDOVZGGFDHOFM-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