General Information of the Compound
Compound ID
CP0864232
Compound Name
trans-N'-(3,4-Dimethoxybenzylidene)-N-methyl-2-phenylcyclopropanecarbohydrazide
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Structure
Formula
C20H22N2O3
Molecular Weight
338.407
Canonical SMILES
COc1ccc(/C=N/N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)cc1OC
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InChI
InChI=1S/C20H22N2O3/c1-22(20(23)17-12-16(17)15-7-5-4-6-8-15)21-13-14-9-10-18(24-2)19(11-14)25-3/h4-11,13,16-17H,12H2,1-3H3/b21-13+/t16-,17+/m0/s1
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InChIKey
LNWFXYUHLGWFLE-QDAPYELHSA-N
Physicochemical Property
logP
3.2998
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
51.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 134150699
ChEMBL ID
CHEMBL3967823
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 = 5000 nM
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