General Information of the Compound
Compound ID
CP0480025
Compound Name
2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)benzamide
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Structure
Formula
C18H12Cl2N2O
Molecular Weight
343.213
Canonical SMILES
Clc1ccccc1C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1
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InChI
InChI=1S/C18H12Cl2N2O/c19-15-6-2-1-5-13(15)18(23)22-12-8-9-16(20)14(11-12)17-7-3-4-10-21-17/h1-11H,(H,22,23)
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InChIKey
PXXKWQWERILNNI-UHFFFAOYSA-N
Physicochemical Property
logP
5.3077
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 45485789
ChEMBL ID
CHEMBL571154
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
CL000387 C3H/10T1/2 clone 8 Mus musculus (Mouse)  1
1
IC50 = 110 nM
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