General Information of the Compound
| Compound ID |
CP0513908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-N-(1-phenylcyclopropyl)-1H-pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22BrClN6O
|
||||||||||||||||||
| Molecular Weight |
573.882
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1-n1nc(C(=O)NC2CC2c2ccccc2)c(Cn2cncn2)c1-c1ccc(Br)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22BrClN6O/c29-20-12-10-19(11-13-20)27-22(15-35-17-31-16-32-35)26(34-36(27)25-9-5-4-8-23(25)30)28(37)33-24-14-21(24)18-6-2-1-3-7-18/h1-13,16-17,21,24H,14-15H2,(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLOKCPYKPGYLJD-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