General Information of the Compound
Compound ID
CP0881691
Compound Name
(E)-2-methyl-6,7-dihydro-1H-indol-4(5H)-one O-4-(methylthio)phenylcarbamoyl oxime
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Structure
Formula
C19H23N3O2S
Molecular Weight
357.479
Canonical SMILES
CCc1c(C)[nH]c2c1/C(=N/OC(=O)Nc1ccc(SC)cc1)CCC2
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InChI
InChI=1S/C19H23N3O2S/c1-4-15-12(2)20-16-6-5-7-17(18(15)16)22-24-19(23)21-13-8-10-14(25-3)11-9-13/h8-11,20H,4-7H2,1-3H3,(H,21,23)/b22-17+
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InChIKey
FXQBOBUWGVVWDQ-OQKWZONESA-N
Physicochemical Property
logP
4.89652
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
66.48
Hydrogen Bond Donor Count
2
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: 135967850
ChEMBL ID
CHEMBL217348
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
IC50 = 350 nM
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