General Information of the Compound
Compound ID
CP0864234
Compound Name
trans-N'-((8-Methylquinolin-6-yl)methylene)-2-phenylcyclopropanecarbohydrazide
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Structure
Formula
C21H19N3O
Molecular Weight
329.403
Canonical SMILES
Cc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc2cccnc12
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InChI
InChI=1S/C21H19N3O/c1-14-10-15(11-17-8-5-9-22-20(14)17)13-23-24-21(25)19-12-18(19)16-6-3-2-4-7-16/h2-11,13,18-19H,12H2,1H3,(H,24,25)/b23-13+/t18-,19+/m1/s1
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InChIKey
WVMUMGJCMIBIHB-BAOAJVHZSA-N
Physicochemical Property
logP
3.79702
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
54.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 134149135
ChEMBL ID
CHEMBL3934816
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 = 240 nM
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