General Information of the Compound
Compound ID
CP0494770
Compound Name
N-(4-chloro-3-pyrazolo[1,5-a]pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
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Structure
Formula
C21H14ClF3N4O
Molecular Weight
430.817
Canonical SMILES
Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1cc2ccccn2n1)C(F)(F)F
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InChI
InChI=1S/C21H14ClF3N4O/c1-12-15(6-8-19(26-12)21(23,24)25)20(30)27-13-5-7-17(22)16(10-13)18-11-14-4-2-3-9-29(14)28-18/h2-11H,1H3,(H,27,30)
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InChIKey
OFYSCZLGXWEMMT-UHFFFAOYSA-N
Physicochemical Property
logP
5.62922
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
59.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 45485711
ChEMBL ID
CHEMBL569817
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 = 170 nM
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