General Information of the Compound
Compound ID
CP0075040
Compound Name
N-[3-(4,5-dichloroimidazol-1-yl)propyl]-2-(2,4-dichlorophenyl)-7-hydroxy-1H-benzimidazole-4-carboxamide
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Structure
Formula
C20H15Cl4N5O2
Molecular Weight
499.185
Canonical SMILES
Oc1ccc(C(=O)NCCCn2cnc(Cl)c2Cl)c2[nH]c(nc12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C20H15Cl4N5O2/c21-10-2-3-11(13(22)8-10)19-27-15-12(4-5-14(30)16(15)28-19)20(31)25-6-1-7-29-9-26-17(23)18(29)24/h2-5,8-9,30H,1,6-7H2,(H,25,31)(H,27,28)
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InChIKey
BFVDVXCPMOHDSM-UHFFFAOYSA-N
Physicochemical Property
logP
5.5657
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
95.83
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 57328618
SID: 136330774
ChEMBL ID
CHEMBL1957955
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: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000264 RD Homo sapiens (Human)  2
1
EC50 = 110 nM
   TI
   LI
   LO
   TS
2
EC50 = 170 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6 nM