General Information of the Compound
Compound ID
CP0958224
Compound Name
N-[(4'-Acetamidobiphenyl-3-yl)methyl]-N-methylglycinamide hydrochloride
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Structure
Formula
C18H22ClN3O2
Molecular Weight
347.846
Canonical SMILES
CC(=O)Nc1ccc(-c2cccc(CN(C)C(=O)CN)c2)cc1.Cl
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InChI
InChI=1S/C18H21N3O2.ClH/c1-13(22)20-17-8-6-15(7-9-17)16-5-3-4-14(10-16)12-21(2)18(23)11-19;/h3-10H,11-12,19H2,1-2H3,(H,20,22);1H
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InChIKey
SVUKVKZSYPQJLX-UHFFFAOYSA-N
Physicochemical Property
logP
2.6509
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
75.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 134143197
ChEMBL ID
CHEMBL3913195
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 = 460 nM
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