General Information of the Compound
Compound ID
CP0509264
Compound Name
N-[[1-tert-butyl-5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)imidazol-2-yl]methyl]cyclopentanamine
    Show/Hide
Structure
Formula
C25H28Cl3N3
Molecular Weight
476.879
Canonical SMILES
CC(C)(C)n1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
    Show/Hide
InChI
InChI=1S/C25H28Cl3N3/c1-25(2,3)31-22(15-29-19-6-4-5-7-19)30-23(20-13-12-18(27)14-21(20)28)24(31)16-8-10-17(26)11-9-16/h8-14,19,29H,4-7,15H2,1-3H3
    Show/Hide
InChIKey
QPMQVZBFSSEPMX-UHFFFAOYSA-N
Physicochemical Property
logP
7.9645
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
29.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
31

"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
CID: 45270190
ChEMBL ID
CHEMBL563726
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: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS