General Information of the Compound
Compound ID
CP0864228
Compound Name
N'-((2-Methoxy-4-methylquinolin-6-yl)methylene)-3-(3-methyl-1H-indol-1-yl)propanehydrazide
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Structure
Formula
C24H24N4O2
Molecular Weight
400.482
Canonical SMILES
COc1cc(C)c2cc(/C=N/NC(=O)CCn3cc(C)c4ccccc43)ccc2n1
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InChI
InChI=1S/C24H24N4O2/c1-16-12-24(30-3)26-21-9-8-18(13-20(16)21)14-25-27-23(29)10-11-28-15-17(2)19-6-4-5-7-22(19)28/h4-9,12-15H,10-11H2,1-3H3,(H,27,29)/b25-14+
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InChIKey
BWNQVQJYLAIKKO-AFUMVMLFSA-N
Physicochemical Property
logP
4.35534
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
68.51
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 49835042
SID: 103909989
ChEMBL ID
CHEMBL3903625
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 = 2000 nM
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