General Information of the Compound
Compound ID
CP0465618
Compound Name
5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide
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Structure
Formula
C24H29Cl2N5O
Molecular Weight
474.436
Canonical SMILES
CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(CC1)c1ccccc1
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InChI
InChI=1S/C24H29Cl2N5O/c1-15(2)27-24-28-22-19(14-18(25)21(26)20(22)23(32)29(3)4)31(24)17-10-12-30(13-11-17)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,27,28)
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InChIKey
NNPJKGJLZBWICB-UHFFFAOYSA-N
Physicochemical Property
logP
5.7067
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
53.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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).

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PubChem ID
CID: 71528444
SID: 163521778
ChEMBL ID
CHEMBL2323942
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 = 200 nM
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