General Information of the Compound
Compound ID
CP0205237
Compound Name
7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-2-methyl-1H-benzimidazole-4-carboxamide
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Structure
Formula
C18H20N4O4S
Molecular Weight
388.449
Canonical SMILES
Cc1nc2c(O)ccc(C(=O)NCCc3ccc(NS(C)(=O)=O)cc3)c2[nH]1
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InChI
InChI=1S/C18H20N4O4S/c1-11-20-16-14(7-8-15(23)17(16)21-11)18(24)19-10-9-12-3-5-13(6-4-12)22-27(2,25)26/h3-8,22-23H,9-10H2,1-2H3,(H,19,24)(H,20,21)
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InChIKey
YQFMDEQJNMWCRA-UHFFFAOYSA-N
Physicochemical Property
logP
1.92092
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
124.18
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 57391377
ChEMBL ID
CHEMBL1957944
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 = 21000 nM
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