General Information of the Compound
Compound ID
CP0903529
Compound Name
3-(6-(Aminomethyl)-1H-imidazo[4,5-c]pyridin-1-yl)-N-phenylbenzamide
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Structure
Formula
C20H17N5O
Molecular Weight
343.39
Canonical SMILES
NCc1cc2c(cn1)ncn2-c1cccc(C(=O)Nc2ccccc2)c1
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InChI
InChI=1S/C20H17N5O/c21-11-16-10-19-18(12-22-16)23-13-25(19)17-8-4-5-14(9-17)20(26)24-15-6-2-1-3-7-15/h1-10,12-13H,11,21H2,(H,24,26)
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InChIKey
UHOYUIYHNJRTHK-UHFFFAOYSA-N
Physicochemical Property
logP
3.1315
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
85.83
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 134330522
ChEMBL ID
CHEMBL4529158
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: PT04868, Lysyl oxidase homolog 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 < 300 nM
   TI
   LI
   LO
   TS