General Information of the Compound
Compound ID
CP0913559
Compound Name
N'-((4-methoxyquinolin-6-yl)methylene)-3-(3-methyl-1H-indol-1-yl)propanehydrazide
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Structure
Formula
C23H22N4O2
Molecular Weight
386.455
Canonical SMILES
COc1ccnc2ccc(/C=N/NC(=O)CCn3cc(C)c4ccccc43)cc12
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InChI
InChI=1S/C23H22N4O2/c1-16-15-27(21-6-4-3-5-18(16)21)12-10-23(28)26-25-14-17-7-8-20-19(13-17)22(29-2)9-11-24-20/h3-9,11,13-15H,10,12H2,1-2H3,(H,26,28)/b25-14+
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InChIKey
WYZGVSOECUWAIG-AFUMVMLFSA-N
Physicochemical Property
logP
4.04692
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
68.51
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 49835150
SID: 103910113
ChEMBL ID
CHEMBL3893648
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 = 120 nM
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