General Information of the Compound
Compound ID
CP0482170
Compound Name
5,6-dichloro-1-[1-(4-cyclohexylphenyl)piperidin-4-yl]-N,N-dimethyl-2-(propan-2-ylamino)benzimidazole-4-carboxamide
    Show/Hide
Structure
Formula
C30H39Cl2N5O
Molecular Weight
556.582
Canonical SMILES
CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(CC1)c1ccc(cc1)C1CCCCC1
    Show/Hide
InChI
InChI=1S/C30H39Cl2N5O/c1-19(2)33-30-34-28-25(18-24(31)27(32)26(28)29(38)35(3)4)37(30)23-14-16-36(17-15-23)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h10-13,18-20,23H,5-9,14-17H2,1-4H3,(H,33,34)
    Show/Hide
InChIKey
QKLUZQVEUCSWEW-UHFFFAOYSA-N
Physicochemical Property
logP
7.7544
Rotatable Bonds
6
Heavy Atom Count
38
Polar Areas
53.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
38

"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: 71528590
SID: 163521931
ChEMBL ID
CHEMBL2323946
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: PT03081, Transient receptor potential cation channel subfamily V member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 31.6 nM
   TI
   LI
   LO
   TS