General Information of the Compound
Compound ID
CP0393869
Compound Name
2-chloro-N-(2-(3,5-dichloro-2-hydroxyphenyl)-1H-benzo[d]imidazol-5-yl)benzamide
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Structure
Formula
C20H12Cl3N3O2
Molecular Weight
432.694
Canonical SMILES
Oc1c(Cl)cc(Cl)cc1-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
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InChI
InChI=1S/C20H12Cl3N3O2/c21-10-7-13(18(27)15(23)8-10)19-25-16-6-5-11(9-17(16)26-19)24-20(28)12-3-1-2-4-14(12)22/h1-9,27H,(H,24,28)(H,25,26)
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InChIKey
CVOZHNOLAFROBK-UHFFFAOYSA-N
Physicochemical Property
logP
6.148
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
78.01
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 136043861
ChEMBL ID
CHEMBL386447
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: PT06119, Photoreceptor-specific nuclear receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 4200 nM
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