General Information of the Compound
Compound ID
CP0948259
Compound Name
3-((6-chloro-1-methyl-1H-benzo[d]imidazol-2-yl)(hydroxy)(phenyl)methyl)-N-(2-hydroxyethyl)benzamide
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Structure
Formula
C24H22ClN3O3
Molecular Weight
435.911
Canonical SMILES
Cn1c(C(O)(c2ccccc2)c2cccc(C(=O)NCCO)c2)nc2ccc(Cl)cc21
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InChI
InChI=1S/C24H22ClN3O3/c1-28-21-15-19(25)10-11-20(21)27-23(28)24(31,17-7-3-2-4-8-17)18-9-5-6-16(14-18)22(30)26-12-13-29/h2-11,14-15,29,31H,12-13H2,1H3,(H,26,30)
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InChIKey
YLKSZBOSGZRUGF-UHFFFAOYSA-N
Physicochemical Property
logP
3.233
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
87.38
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: 126726300
ChEMBL ID
CHEMBL4543147
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: PT05157, Acetyl-coenzyme A synthetase, cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 1000 nM
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