General Information of the Compound
Compound ID
CP0307489
Compound Name
6-[2-(4-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
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Structure
Formula
C25H22ClN5O2S
Molecular Weight
492.004
Canonical SMILES
CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C25H22ClN5O2S/c1-15(2)34(32,33)31-21-14-18(10-13-20(21)28-25(31)27)23-22(16-6-4-3-5-7-16)29-24(30-23)17-8-11-19(26)12-9-17/h3-15H,1-2H3,(H2,27,28)(H,29,30)
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InChIKey
MRTDMTBQTBCJDJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.5823
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
106.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 10458352
SID: 15480215
ChEMBL ID
CHEMBL403737
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: PT02655, Mitogen-activated protein kinase 14
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 = 376 nM
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