General Information of the Compound
Compound ID
CP0878258
Compound Name
(E)-N-(4-chlorophenyl)-2-(6,7-dihydro-1H-indol-4(5H)-ylidene)hydrazinecarboxamide
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Structure
Formula
C15H15ClN4O
Molecular Weight
302.765
Canonical SMILES
O=C(N/N=C1\CCCc2[nH]ccc21)Nc1ccc(Cl)cc1
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InChI
InChI=1S/C15H15ClN4O/c16-10-4-6-11(7-5-10)18-15(21)20-19-14-3-1-2-13-12(14)8-9-17-13/h4-9,17H,1-3H2,(H2,18,20,21)/b19-14+
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InChIKey
SECYRZPXTRBVNN-XMHGGMMESA-N
Physicochemical Property
logP
3.5302
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
69.28
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 135967831
ChEMBL ID
CHEMBL386020
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 = 5600 nM
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