General Information of the Compound
| Compound ID |
CP0452909
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-cycloheptyl-1H-pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
467.4
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NC1CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24Cl2N4O/c26-18-13-11-17(12-14-18)24-20(15-16-28)23(25(32)29-19-7-3-1-2-4-8-19)30-31(24)22-10-6-5-9-21(22)27/h5-6,9-14,19H,1-4,7-8,15H2,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SPPMUIFLVYBDMD-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