General Information of the Compound
Compound ID
CP0497338
Compound Name
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-chlorobenzamide
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Structure
Formula
C20H13Cl2N3O
Molecular Weight
382.25
Canonical SMILES
Clc1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1
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InChI
InChI=1S/C20H13Cl2N3O/c21-13-7-5-12(6-8-13)20(26)23-14-9-10-16(22)15(11-14)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)
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InChIKey
SIPGFBGHVREQEI-UHFFFAOYSA-N
Physicochemical Property
logP
5.789
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 45484433
ChEMBL ID
CHEMBL565554
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: PT02715, Sonic hedgehog protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000426 Shh Light II Mus musculus (Mouse)  1
1
IC50 = 224 nM
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