General Information of the Compound
Compound ID
CP0494771
Compound Name
N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
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Structure
Formula
C18H14ClF3N4O
Molecular Weight
394.784
Canonical SMILES
Cc1c[nH]c(n1)-c1cc(NC(=O)c2ccc(nc2C)C(F)(F)F)ccc1Cl
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InChI
InChI=1S/C18H14ClF3N4O/c1-9-8-23-16(24-9)13-7-11(3-5-14(13)19)26-17(27)12-4-6-15(18(20,21)22)25-10(12)2/h3-8H,1-2H3,(H,23,24)(H,26,27)
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InChIKey
VBFXGGOZUGJMHQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.01304
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 25217563
SID: 57559230
ChEMBL ID
CHEMBL572016
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 = 256 nM
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