General Information of the Compound
| Compound ID |
CP0382452
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((1r,4r)-4-(3-(3,5-bis(trifluoromethyl)phenyl)-2-oxopiperidin-1-yl)-4-phenylcyclohexyl)-1-phenylpiperazin-2-one
Show/Hide
|
||||||||||||||||||
| Formula |
C35H35F6N3O2
|
||||||||||||||||||
| Molecular Weight |
643.672
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H35F6N3O2/c36-34(37,38)26-20-24(21-27(22-26)35(39,40)41)30-12-7-17-44(32(30)46)33(25-8-3-1-4-9-25)15-13-28(14-16-33)42-18-19-43(31(45)23-42)29-10-5-2-6-11-29/h1-6,8-11,20-22,28,30H,7,12-19,23H2/t28-,30?,33-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AKDFSCPPNYDWHG-LGBGJOJZSA-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 | |||||||||||||||||||
| 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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01410, Substance-P receptor