General Information of the Compound
Compound ID
CP0873142
Compound Name
3-(3,4-dimethyl-1H-indol-1-yl)-N'-((8-methylquinolin-6-yl)methylene)propanehydrazide
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Structure
Formula
C24H24N4O
Molecular Weight
384.483
Canonical SMILES
Cc1cc(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)cc2cccnc12
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InChI
InChI=1S/C24H24N4O/c1-16-6-4-8-21-23(16)18(3)15-28(21)11-9-22(29)27-26-14-19-12-17(2)24-20(13-19)7-5-10-25-24/h4-8,10,12-15H,9,11H2,1-3H3,(H,27,29)/b26-14+
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InChIKey
LGBISRSGSGVAPA-VULFUBBASA-N
Physicochemical Property
logP
4.65516
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
59.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 49835093
SID: 103910050
ChEMBL ID
CHEMBL3890861
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 = 5 nM
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