General Information of the Compound
Compound ID
CP0384168
Compound Name
N-[(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-oxo-1H-indol-5-yl]acetamide
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Structure
Formula
C18H16N2O4
Molecular Weight
324.336
Canonical SMILES
COc1cc(\C=C2/C(=O)Nc3ccc(NC(C)=O)cc23)ccc1O
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InChI
InChI=1S/C18H16N2O4/c1-10(21)19-12-4-5-15-13(9-12)14(18(23)20-15)7-11-3-6-16(22)17(8-11)24-2/h3-9,22H,1-2H3,(H,19,21)(H,20,23)/b14-7-
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InChIKey
OPFTWGJMVCIPHK-AUWJEWJLSA-N
Physicochemical Property
logP
2.8519
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
87.66
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 52946863
ChEMBL ID
CHEMBL1243095
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: PT05074, NADPH oxidase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1400 nM
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