General Information of the Compound
Compound ID
CP0143185
Compound Name
2-amino-N-benzylpropanamide
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Structure
Formula
C10H14N2O
Molecular Weight
178.235
Canonical SMILES
CC(N)C(=O)NCc1ccccc1
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InChI
InChI=1S/C10H14N2O/c1-8(11)10(13)12-7-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H,12,13)
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InChIKey
VRHPVAHXPQMOJZ-UHFFFAOYSA-N
Physicochemical Property
logP
0.65
Rotatable Bonds
3
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).

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PubChem ID
CID: 3496505
SID: 15243595
ChEMBL ID
CHEMBL318725
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 > 20000 nM
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