General Information of the Compound
Compound ID
CP0864229
Compound Name
N'-(3,4-dimethoxybenzylidene)-3-(4-methyl-1H-indol-1-yl)propanehydrazide
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Structure
Formula
C21H23N3O3
Molecular Weight
365.433
Canonical SMILES
COc1ccc(/C=N/NC(=O)CCn2ccc3c(C)cccc32)cc1OC
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InChI
InChI=1S/C21H23N3O3/c1-15-5-4-6-18-17(15)9-11-24(18)12-10-21(25)23-22-14-16-7-8-19(26-2)20(13-16)27-3/h4-9,11,13-14H,10,12H2,1-3H3,(H,23,25)/b22-14+
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InChIKey
LTFMREFOBYNCHF-HYARGMPZSA-N
Physicochemical Property
logP
3.50732
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
64.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 49835043
SID: 103909990
ChEMBL ID
CHEMBL3917255
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 = 12 nM
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