General Information of the Compound
Compound ID
CP0275741
Compound Name
2-benzyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
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Structure
Formula
C24H24N4O4S
Molecular Weight
464.547
Canonical SMILES
CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc(Cc4ccccc4)[nH]c23)cc1
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InChI
InChI=1S/C24H24N4O4S/c1-33(31,32)28-18-9-7-16(8-10-18)13-14-25-24(30)19-11-12-20(29)23-22(19)26-21(27-23)15-17-5-3-2-4-6-17/h2-12,28-29H,13-15H2,1H3,(H,25,30)(H,26,27)
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InChIKey
GEWUFOXOPUAMSC-UHFFFAOYSA-N
Physicochemical Property
logP
3.2033
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
124.18
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 57391376
ChEMBL ID
CHEMBL1957943
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)  1
1
EC50 = 3900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1600 nM