General Information of the Compound
Compound ID
CP0923138
Compound Name
N-[(2'-Chlorobiphenyl-3-yl)methyl]-N-methylglycinamide hydrochloride
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Structure
Formula
C16H18Cl2N2O
Molecular Weight
325.239
Canonical SMILES
CN(Cc1cccc(-c2ccccc2Cl)c1)C(=O)CN.Cl
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InChI
InChI=1S/C16H17ClN2O.ClH/c1-19(16(20)10-18)11-12-5-4-6-13(9-12)14-7-2-3-8-15(14)17;/h2-9H,10-11,18H2,1H3;1H
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InChIKey
YERPDOUSUHCMLZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3459
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
46.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 134135554
ChEMBL ID
CHEMBL3905923
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 = 4100 nM
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