General Information of the Compound
Compound ID
CP0873003
Compound Name
trans-2-(5-Chloropyridin-2-yl)-N'-((8-methylquinolin-6-yl)methylene)cyclopropanecarbohydrazide
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Structure
Formula
C20H17ClN4O
Molecular Weight
364.836
Canonical SMILES
Cc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cn2)cc2cccnc12
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InChI
InChI=1S/C20H17ClN4O/c1-12-7-13(8-14-3-2-6-22-19(12)14)10-24-25-20(26)17-9-16(17)18-5-4-15(21)11-23-18/h2-8,10-11,16-17H,9H2,1H3,(H,25,26)/b24-10+/t16-,17-/m1/s1
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InChIKey
IXRFXQITJITZJD-LKAUBKCLSA-N
Physicochemical Property
logP
3.84542
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
67.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 134137884
ChEMBL ID
CHEMBL3930579
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 = 5400 nM
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