General Information of the Compound
Compound ID
CP0887128
Compound Name
N-(Biphenyl-3-ylmethyl)glycinamide hydrochloride
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Structure
Formula
C15H17ClN2O
Molecular Weight
276.767
Canonical SMILES
Cl.NCC(=O)NCc1cccc(-c2ccccc2)c1
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InChI
InChI=1S/C15H16N2O.ClH/c16-10-15(18)17-11-12-5-4-8-14(9-12)13-6-2-1-3-7-13;/h1-9H,10-11,16H2,(H,17,18);1H
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InChIKey
SNCHZHPVKTZNTH-UHFFFAOYSA-N
Physicochemical Property
logP
2.3503
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
55.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 134140491
ChEMBL ID
CHEMBL3919913
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: PT03817, 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 = 23 nM
   TI
   LI
   LO
   TS
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 = 180 nM
   TI
   LI
   LO
   TS