General Information of the Compound
Compound ID
CP0437464
Compound Name
3-[3-(1-benzenesulfonyl-1H-indole-2-carbonyl)phenyl]-N-hydroxyacrylamide
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Structure
Formula
C24H18N2O5S
Molecular Weight
446.484
Canonical SMILES
ONC(=O)\C=C\c1cccc(c1)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C24H18N2O5S/c27-23(25-29)14-13-17-7-6-9-19(15-17)24(28)22-16-18-8-4-5-12-21(18)26(22)32(30,31)20-10-2-1-3-11-20/h1-16,29H,(H,25,27)/b14-13+
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InChIKey
QCVDWHATVSTEHA-BUHFOSPRSA-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: 17756303
SID: 29214174
ChEMBL ID
CHEMBL390907
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 = 89 nM
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