General Information of the Compound
| Compound ID |
CP0634380
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{4-[(4-Methoxy-phenyl)-(4-trifluoromethyl-phenyl)-methyl]-piperazin-1-yl}-3,3-diphenyl-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H33F3N2O2
|
||||||||||||||||||
| Molecular Weight |
558.644
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(c2ccc(C(F)(F)F)cc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H33F3N2O2/c1-41-30-18-14-28(15-19-30)33(27-12-16-29(17-13-27)34(35,36)37)39-22-20-38(21-23-39)32(40)24-31(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-19,31,33H,20-24H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDBMKSCBAFSILW-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