General Information of the Compound
Compound ID
CP0866193
Compound Name
3-(3,4-Dimethyl-1H-indol-1-yl)-N'-(2-fluoro-4,5-dimethoxybenzylidene)propanehydrazide
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Structure
Formula
C22H24FN3O3
Molecular Weight
397.45
Canonical SMILES
COc1cc(F)c(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)cc1OC
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InChI
InChI=1S/C22H24FN3O3/c1-14-6-5-7-18-22(14)15(2)13-26(18)9-8-21(27)25-24-12-16-10-19(28-3)20(29-4)11-17(16)23/h5-7,10-13H,8-9H2,1-4H3,(H,25,27)/b24-12+
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InChIKey
CDUQWHNXOHMKOO-WYMPLXKRSA-N
Physicochemical Property
logP
3.95484
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
64.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 66954874
ChEMBL ID
CHEMBL3984818
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: PT06248, Transient receptor potential cation channel subfamily M member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3 nM
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