General Information of the Compound
Compound ID
CP0875563
Compound Name
N'-(3,4-dimethoxybenzylidene)-3-(1-methyl-1H-indol-3-yl)propanehydrazide
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Structure
Formula
C21H23N3O3
Molecular Weight
365.433
Canonical SMILES
COc1ccc(/C=N/NC(=O)CCc2cn(C)c3ccccc23)cc1OC
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InChI
InChI=1S/C21H23N3O3/c1-24-14-16(17-6-4-5-7-18(17)24)9-11-21(25)23-22-13-15-8-10-19(26-2)20(12-15)27-3/h4-8,10,12-14H,9,11H2,1-3H3,(H,23,25)/b22-13+
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InChIKey
FKKFHUUMFLBHIH-LPYMAVHISA-N
Physicochemical Property
logP
3.2784
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: 49835737
SID: 103910718
ChEMBL ID
CHEMBL3968112
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 = 51 nM
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