General Information of the Compound
Compound ID
CP0863020
Compound Name
(E)-N-(4-chlorophenyl)-2-(2,3-dimethyl-6,7-dihydro-1H-indol-4(5H)-ylidene)hydrazinecarboxamide
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Structure
Formula
C17H19ClN4O
Molecular Weight
330.819
Canonical SMILES
Cc1[nH]c2c(c1C)/C(=N/NC(=O)Nc1ccc(Cl)cc1)CCC2
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InChI
InChI=1S/C17H19ClN4O/c1-10-11(2)19-14-4-3-5-15(16(10)14)21-22-17(23)20-13-8-6-12(18)7-9-13/h6-9,19H,3-5H2,1-2H3,(H2,20,22,23)/b21-15+
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InChIKey
CWWKNCKBBPUXKA-RCCKNPSSSA-N
Physicochemical Property
logP
4.14704
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
69.28
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
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: 135967871
ChEMBL ID
CHEMBL217800
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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