General Information of the Compound
Compound ID
CP0875564
Compound Name
trans-2-(6-Methoxypyridin-2-yl)-N'-((8-methylquinolin-6-yl)methylene)cyclopropanecarbohydrazide
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Structure
Formula
C21H20N4O2
Molecular Weight
360.417
Canonical SMILES
COc1cccc([C@@H]2C[C@H]2C(=O)N/N=C/c2cc(C)c3ncccc3c2)n1
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InChI
InChI=1S/C21H20N4O2/c1-13-9-14(10-15-5-4-8-22-20(13)15)12-23-25-21(26)17-11-16(17)18-6-3-7-19(24-18)27-2/h3-10,12,16-17H,11H2,1-2H3,(H,25,26)/b23-12+/t16-,17-/m1/s1
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InChIKey
UEAGEEKWWUCZEW-RFTFHOITSA-N
Physicochemical Property
logP
3.20062
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
76.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 134138456
ChEMBL ID
CHEMBL3930285
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 = 410 nM
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