General Information of the Compound
Compound ID
CP0452613
Compound Name
N-(6-methylpyridin-2-yl)-3-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
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Structure
Formula
C19H15N5O
Molecular Weight
329.363
Canonical SMILES
Cc1cccc(NC(=O)c2nccc3c(c[nH]c23)-c2ccccn2)n1
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InChI
InChI=1S/C19H15N5O/c1-12-5-4-7-16(23-12)24-19(25)18-17-13(8-10-21-18)14(11-22-17)15-6-2-3-9-20-15/h2-11,22H,1H3,(H,23,24,25)
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InChIKey
UHZPZHBQBGJIMR-UHFFFAOYSA-N
Physicochemical Property
logP
3.58062
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
83.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 71458509
SID: 163440613
ChEMBL ID
CHEMBL2153790
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
IC50 = 540 nM
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