General Information of the Compound
Compound ID
CP0447973
Compound Name
5-methyl-N-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
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Structure
Formula
C13H13N5O
Molecular Weight
255.281
Canonical SMILES
Cc1cnc(NC(=O)c2nc(C)cc3cc[nH]c23)[nH]1
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InChI
InChI=1S/C13H13N5O/c1-7-5-9-3-4-14-10(9)11(16-7)12(19)18-13-15-6-8(2)17-13/h3-6,14H,1-2H3,(H2,15,17,18,19)
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InChIKey
FLAXKHHWJTYRJK-UHFFFAOYSA-N
Physicochemical Property
logP
2.15514
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
86.46
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 71456664
SID: 163440543
ChEMBL ID
CHEMBL2153785
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 = 300 nM
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