General Information of the Compound
Compound ID
CP0140053
Compound Name
2-amino-N-(2-phenylethyl)acetamide
    Show/Hide
Structure
Formula
C10H14N2O
Molecular Weight
178.235
Canonical SMILES
NCC(=O)NCCc1ccccc1
    Show/Hide
InChI
InChI=1S/C10H14N2O/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8,11H2,(H,12,13)
    Show/Hide
InChIKey
AOTLMPMRTWNYBN-UHFFFAOYSA-N
Physicochemical Property
logP
0.304
Rotatable Bonds
4
Heavy Atom Count
13
Polar Areas
55.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
13

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11087601
SID: 96078754
ChEMBL ID
CHEMBL4434695
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: PT02533, Histone-arginine methyltransferase CARM1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
IC50 = 20500 nM
   TI
   LI
   LO
   TS