General Information of the Compound
Compound ID
CP0871234
Compound Name
N'-(3,4-Dimethoxybenzylidene)-3-(4-methoxy-3-methyl-1H-indol-1-yl)propanehydrazide
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Structure
Formula
C22H25N3O4
Molecular Weight
395.459
Canonical SMILES
COc1ccc(/C=N/NC(=O)CCn2cc(C)c3c(OC)cccc32)cc1OC
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InChI
InChI=1S/C22H25N3O4/c1-15-14-25(17-6-5-7-19(28-3)22(15)17)11-10-21(26)24-23-13-16-8-9-18(27-2)20(12-16)29-4/h5-9,12-14H,10-11H2,1-4H3,(H,24,26)/b23-13+
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InChIKey
XDKJOWAZOPQLGY-YDZHTSKRSA-N
Physicochemical Property
logP
3.51592
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
74.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 49834981
SID: 103909926
ChEMBL ID
CHEMBL3920665
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 = 6 nM
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