General Information of the Compound
Compound ID
CP0869411
Compound Name
3-(3-methyl-1H-indol-1-yl)-N'-((2-methylquinolin-6-yl)methylene)propanehydrazide
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Structure
Formula
C23H22N4O
Molecular Weight
370.456
Canonical SMILES
Cc1ccc2cc(/C=N/NC(=O)CCn3cc(C)c4ccccc43)ccc2n1
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InChI
InChI=1S/C23H22N4O/c1-16-15-27(22-6-4-3-5-20(16)22)12-11-23(28)26-24-14-18-8-10-21-19(13-18)9-7-17(2)25-21/h3-10,13-15H,11-12H2,1-2H3,(H,26,28)/b24-14+
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InChIKey
WOEHUJPLJHLQKB-ZVHZXABRSA-N
Physicochemical Property
logP
4.34674
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
59.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 49834913
SID: 103909858
ChEMBL ID
CHEMBL3968216
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 > 30000 nM
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