General Information of the Compound
| Compound ID |
CP0410070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((5-(4-(1-(4-chlorophenyl)ethyl)phenyl)-3-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)-N-(2H-tetrazol-5-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H25ClF3N7O2
|
||||||||||||||||||
| Molecular Weight |
644.057
|
||||||||||||||||||
| Canonical SMILES |
CC(c1ccc(Cl)cc1)c1ccc(cc1)-c1cc(nn1Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)-c1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H25ClF3N7O2/c1-20(23-10-14-27(34)15-11-23)22-6-8-25(9-7-22)30-18-29(24-12-16-28(17-13-24)46-33(35,36)37)41-44(30)19-21-2-4-26(5-3-21)31(45)38-32-39-42-43-40-32/h2-18,20H,19H2,1H3,(H2,38,39,40,42,43,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRWAXAAOUGKTAB-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