General Information of the Compound
Compound ID
CP0517989
Compound Name
N-(2-methylpropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
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Structure
Formula
C12H15N3O
Molecular Weight
217.272
Canonical SMILES
CC(C)CNC(=O)c1cc2cnccc2[nH]1
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InChI
InChI=1S/C12H15N3O/c1-8(2)6-14-12(16)11-5-9-7-13-4-3-10(9)15-11/h3-5,7-8,15H,6H2,1-2H3,(H,14,16)
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InChIKey
RORPMVLBMINDDK-UHFFFAOYSA-N
Physicochemical Property
logP
1.9487
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 134138726
ChEMBL ID
CHEMBL3934566
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: PT01903, Nicotinamide phosphoribosyltransferase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000072 A2780 Homo sapiens (Human)  1
1
IC50 > 2000 nM
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