General Information of the Compound
Compound ID
CP0485298
Compound Name
3-(1-benzenesulfonyl-2-benzoyl-1H-indol-5-yl)-N-hydroxyacrylamide
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Structure
Formula
C24H18N2O5S
Molecular Weight
446.484
Canonical SMILES
ONC(=O)\C=C\c1ccc2n(c(cc2c1)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C24H18N2O5S/c27-23(25-29)14-12-17-11-13-21-19(15-17)16-22(24(28)18-7-3-1-4-8-18)26(21)32(30,31)20-9-5-2-6-10-20/h1-16,29H,(H,25,27)/b14-12+
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InChIKey
QDGMLNPUKKIWDJ-WYMLVPIESA-N
Physicochemical Property
logP
3.6279
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
105.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 17756404
SID: 29214282
ChEMBL ID
CHEMBL388429
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 = 200 nM
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