General Information of the Compound
Compound ID
CP0012487
Compound Name
3-(benzylamino)-N-hydroxypropanamide
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Structure
Formula
C10H14N2O2
Molecular Weight
194.234
Canonical SMILES
ONC(=O)CCNCc1ccccc1
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InChI
InChI=1S/C10H14N2O2/c13-10(12-14)6-7-11-8-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2,(H,12,13)
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InChIKey
PFEWRCHYOZKKDK-UHFFFAOYSA-N
CAS
23573-92-4
Physicochemical Property
logP
0.6717
Rotatable Bonds
5
Heavy Atom Count
14
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 211808
ChEMBL ID
CHEMBL4078522
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00835, Histone deacetylase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS