General Information of the Compound
Compound ID
CP0875182
Compound Name
N'-((1,5-Naphthyridin-2-yl)methylene)-3-(3-methyl-1H-indol-1-yl)propanehydrazide
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Structure
Formula
C21H19N5O
Molecular Weight
357.417
Canonical SMILES
Cc1cn(CCC(=O)N/N=C/c2ccc3ncccc3n2)c2ccccc12
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InChI
InChI=1S/C21H19N5O/c1-15-14-26(20-7-3-2-5-17(15)20)12-10-21(27)25-23-13-16-8-9-18-19(24-16)6-4-11-22-18/h2-9,11,13-14H,10,12H2,1H3,(H,25,27)/b23-13+
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InChIKey
PJKOLHJVPXRYHE-YDZHTSKRSA-N
Physicochemical Property
logP
3.43332
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
72.17
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: 58132203
ChEMBL ID
CHEMBL3900872
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 = 1300 nM
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