General Information of the Compound
Compound ID
CP0853409
Compound Name
(E)-N-(4-chlorophenyl)-2-(3-ethyl-2-methyl-6,7-dihydro-1H-indol-4(5H)-ylidene)-1-methylhydrazinecarboxamide
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Structure
Formula
C19H23ClN4O
Molecular Weight
358.873
Canonical SMILES
CCc1c(C)[nH]c2c1/C(=N/N(C)C(=O)Nc1ccc(Cl)cc1)CCC2
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InChI
InChI=1S/C19H23ClN4O/c1-4-15-12(2)21-16-6-5-7-17(18(15)16)23-24(3)19(25)22-14-10-8-13(20)9-11-14/h8-11,21H,4-7H2,1-3H3,(H,22,25)/b23-17+
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InChIKey
UIIAXKLBALVNHM-HAVVHWLPSA-N
Physicochemical Property
logP
4.74322
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
60.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 135401986
SID: 24436202
ChEMBL ID
CHEMBL216624
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 = 130 nM
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