General Information of the Compound
Compound ID
CP0875972
Compound Name
(E)-2-methyl-6,7-dihydro-1H-indol-4(5H)-one O-phenylcarbamoyl oxime
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Structure
Formula
C18H21N3O2
Molecular Weight
311.385
Canonical SMILES
CCc1c(C)[nH]c2c1/C(=N/OC(=O)Nc1ccccc1)CCC2
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InChI
InChI=1S/C18H21N3O2/c1-3-14-12(2)19-15-10-7-11-16(17(14)15)21-23-18(22)20-13-8-5-4-6-9-13/h4-6,8-9,19H,3,7,10-11H2,1-2H3,(H,20,22)/b21-16+
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InChIKey
NATLTWZVCBHRJN-LTGZKZEYSA-N
Physicochemical Property
logP
4.17462
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
66.48
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 135401985
SID: 24436200
ChEMBL ID
CHEMBL217347
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 = 67 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS