General Information of the Compound
Compound ID
CP0573219
Compound Name
2-amino-N-methyl-N-[(3-phenylphenyl)methyl]acetamide
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Structure
Formula
C16H18N2O
Molecular Weight
254.333
Canonical SMILES
CN(Cc1cccc(c1)-c1ccccc1)C(=O)CN
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InChI
InChI=1S/C16H18N2O/c1-18(16(19)11-17)12-13-6-5-9-15(10-13)14-7-3-2-4-8-14/h2-10H,11-12,17H2,1H3
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InChIKey
IDGFNSHTKNWVLT-UHFFFAOYSA-N
Physicochemical Property
logP
2.2707
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
46.33
Hydrogen Bond Donor Count
1
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: 134147377
ChEMBL ID
CHEMBL3948293
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 = 120 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 = 800 nM
   TI
   LI
   LO
   TS