General Information of the Compound
| Compound ID |
CP0430989
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(azepan-1-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23Cl2N5O
|
||||||||||||||||||
| Molecular Weight |
468.388
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23Cl2N5O/c25-18-11-9-17(10-12-18)23-19(13-14-27)22(24(32)29-30-15-5-1-2-6-16-30)28-31(23)21-8-4-3-7-20(21)26/h3-4,7-12H,1-2,5-6,13,15-16H2,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WIQGPWFZPISYFW-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