General Information of the Compound
Compound ID
CP0005364
Compound Name
N-hydroxy-2-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
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Structure
Formula
C17H18N2O2
Molecular Weight
282.343
Canonical SMILES
ONC(=O)CN1CCc2ccccc2C1c1ccccc1
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InChI
InChI=1S/C17H18N2O2/c20-16(18-21)12-19-11-10-13-6-4-5-9-15(13)17(19)14-7-2-1-3-8-14/h1-9,17,21H,10-12H2,(H,18,20)
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InChIKey
HXOSUHJCHXFHKI-UHFFFAOYSA-N
Physicochemical Property
logP
2.1395
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
52.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 145978561
ChEMBL ID
CHEMBL4206055
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 > 100000 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