General Information of the Compound
Compound ID
CP0915645
Compound Name
3-(3-methyl-1H-indol-1-yl)-N'-((3-methylquinolin-6-yl)methylene)propanehydrazide
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Structure
Formula
C23H22N4O
Molecular Weight
370.456
Canonical SMILES
Cc1cnc2ccc(/C=N/NC(=O)CCn3cc(C)c4ccccc43)cc2c1
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InChI
InChI=1S/C23H22N4O/c1-16-11-19-12-18(7-8-21(19)24-13-16)14-25-26-23(28)9-10-27-15-17(2)20-5-3-4-6-22(20)27/h3-8,11-15H,9-10H2,1-2H3,(H,26,28)/b25-14+
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InChIKey
JYCJXBCHYSPVIY-AFUMVMLFSA-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: 58132205
ChEMBL ID
CHEMBL3931655
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 = 210 nM
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