General Information of the Compound
Compound ID
CP0394686
Compound Name
3-(2-benzoyl-1H-indol-5-yl)-N-hydroxyacrylamide
    Show/Hide
Structure
Formula
C18H14N2O3
Molecular Weight
306.321
Canonical SMILES
ONC(=O)\C=C\c1ccc2[nH]c(cc2c1)C(=O)c1ccccc1
    Show/Hide
InChI
InChI=1S/C18H14N2O3/c21-17(20-23)9-7-12-6-8-15-14(10-12)11-16(19-15)18(22)13-4-2-1-3-5-13/h1-11,19,23H,(H,20,21)/b9-7+
    Show/Hide
InChIKey
YEISVPJANGFNKA-VQHVLOKHSA-N
Physicochemical Property
logP
2.9175
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
82.19
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 17756406
SID: 29214284
ChEMBL ID
CHEMBL244670
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
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 250 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 3970 nM
   TI
   LI
   LO
   TS