General Information of the Compound
Compound ID
CP0849439
Compound Name
(E)-2-(3-ethyl-2-methyl-6,7-dihydro-1H-indol-4(5H)-ylidene)-N-phenylhydrazinecarboxamide
    Show/Hide
Structure
Formula
C18H22N4O
Molecular Weight
310.401
Canonical SMILES
CCc1c(C)[nH]c2c1/C(=N/NC(=O)Nc1ccccc1)CCC2
    Show/Hide
InChI
InChI=1S/C18H22N4O/c1-3-14-12(2)19-15-10-7-11-16(17(14)15)21-22-18(23)20-13-8-5-4-6-9-13/h4-6,8-9,19H,3,7,10-11H2,1-2H3,(H2,20,22,23)/b21-16+
    Show/Hide
InChIKey
ODLRLBPCVCWBFC-LTGZKZEYSA-N
Physicochemical Property
logP
3.74762
Rotatable Bonds
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 135401987
SID: 24436203
ChEMBL ID
CHEMBL217133
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
   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 = 21000 nM
   TI
   LI
   LO
   TS