General Information of the Compound
Compound ID
CP0463766
Compound Name
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
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Structure
Formula
C19H16ClN3O
Molecular Weight
337.81
Canonical SMILES
Cc1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(C)n1
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InChI
InChI=1S/C19H16ClN3O/c1-12-6-8-15(13(2)22-12)19(24)23-14-7-9-17(20)16(11-14)18-5-3-4-10-21-18/h3-11H,1-2H3,(H,23,24)
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InChIKey
AJNNVSJLRGTTPV-UHFFFAOYSA-N
Physicochemical Property
logP
4.66614
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 45485759
ChEMBL ID
CHEMBL570044
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 = 130 nM
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