General Information of the Compound
Compound ID
CP0472169
Compound Name
N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
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Structure
Formula
C18H13ClN2O
Molecular Weight
308.768
Canonical SMILES
Clc1ccc(NC(=O)c2ccccc2)cc1-c1ccccn1
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InChI
InChI=1S/C18H13ClN2O/c19-16-10-9-14(12-15(16)17-8-4-5-11-20-17)21-18(22)13-6-2-1-3-7-13/h1-12H,(H,21,22)
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InChIKey
KDCMHGOCDYEERH-UHFFFAOYSA-N
Physicochemical Property
logP
4.6543
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 45485785
ChEMBL ID
CHEMBL572230
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 = 800 nM
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