General Information of the Compound
Compound ID
CP0551261
Compound Name
(E)-N-hydroxy-3-[4-(5-methoxy-1H-indole-2-carbonyl)phenyl]prop-2-enamide
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Structure
Formula
C19H16N2O4
Molecular Weight
336.347
Canonical SMILES
COc1ccc2[nH]c(cc2c1)C(=O)c1ccc(\C=C\C(=O)NO)cc1
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InChI
InChI=1S/C19H16N2O4/c1-25-15-7-8-16-14(10-15)11-17(20-16)19(23)13-5-2-12(3-6-13)4-9-18(22)21-24/h2-11,20,24H,1H3,(H,21,22)/b9-4+
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InChIKey
VIWQULSIZOOSTF-RUDMXATFSA-N
Physicochemical Property
logP
2.9261
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
91.42
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 17756305
SID: 29214176
ChEMBL ID
CHEMBL396559
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 = 320 nM
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