General Information of the Compound
Compound ID
CP0913906
Compound Name
3-(3,4-Dimethyl-1H-indol-1-yl)-N'-(3-methoxy-4-(pyridazin-3-ylmethoxy)benzylidene)propanehydrazide
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Structure
Formula
C26H27N5O3
Molecular Weight
457.534
Canonical SMILES
COc1cc(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)ccc1OCc1cccnn1
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InChI
InChI=1S/C26H27N5O3/c1-18-6-4-8-22-26(18)19(2)16-31(22)13-11-25(32)30-28-15-20-9-10-23(24(14-20)33-3)34-17-21-7-5-12-27-29-21/h4-10,12,14-16H,11,13,17H2,1-3H3,(H,30,32)/b28-15+
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InChIKey
VKPSTDVQDDRCOI-RWPZCVJISA-N
Physicochemical Property
logP
4.17614
Rotatable Bonds
9
Heavy Atom Count
34
Polar Areas
90.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 49835208
SID: 103910171
ChEMBL ID
CHEMBL3965662
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 = 180 nM
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