General Information of the Compound
Compound ID
CP0927803
Compound Name
(E)-N-(4-acetylphenyl)-2-(2,3-diethyl-1-methyl-6,7-dihydro-1H-indol-4(5H)-ylidene)-1-methylhydrazinecarboxamide
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Structure
Formula
C23H30N4O2
Molecular Weight
394.519
Canonical SMILES
CCc1c2c(n(C)c1CC)CCC/C2=N\N(C)C(=O)Nc1ccc(C(C)=O)cc1
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InChI
InChI=1S/C23H30N4O2/c1-6-18-20(7-2)26(4)21-10-8-9-19(22(18)21)25-27(5)23(29)24-17-13-11-16(12-14-17)15(3)28/h11-14H,6-10H2,1-5H3,(H,24,29)/b25-19+
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InChIKey
BDCNHUMUBBWEDS-NCELDCMTSA-N
Physicochemical Property
logP
4.5568
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
66.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 44418031
ChEMBL ID
CHEMBL216375
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 = 370 nM
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