General Information of the Compound
Compound ID
CP0930370
Compound Name
3'-{[Glycyl(methyl)amino]methyl}biphenyl-4-carboxamide hydrochloride
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Structure
Formula
C17H20ClN3O2
Molecular Weight
333.819
Canonical SMILES
CN(Cc1cccc(-c2ccc(C(N)=O)cc2)c1)C(=O)CN.Cl
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InChI
InChI=1S/C17H19N3O2.ClH/c1-20(16(21)10-18)11-12-3-2-4-15(9-12)13-5-7-14(8-6-13)17(19)22;/h2-9H,10-11,18H2,1H3,(H2,19,22);1H
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InChIKey
YGLNLOWITDTWES-UHFFFAOYSA-N
Physicochemical Property
logP
1.7914
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
89.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 134138256
ChEMBL ID
CHEMBL3931119
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: PT02562, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1600 nM
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