General Information of the Compound
Compound ID
CP0510321
Compound Name
5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole
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Structure
Formula
C22H12Cl3N3O
Molecular Weight
440.717
Canonical SMILES
Clc1ccc(cc1)-c1cnc(o1)-c1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl
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InChI
InChI=1S/C22H12Cl3N3O/c23-14-7-4-12(5-8-14)19-11-26-22(29-19)13-6-9-17-18(10-13)28-21(27-17)20-15(24)2-1-3-16(20)25/h1-11H,(H,27,28)
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InChIKey
VCAFQDZGTWSJAS-UHFFFAOYSA-N
Physicochemical Property
logP
7.5121
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
54.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 25235860
SID: 57587803
ChEMBL ID
CHEMBL4060245
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: PT02536, Diacylglycerol O-acyltransferase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 132 nM
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