General Information of the Compound
Compound ID
CP0873141
Compound Name
2-(3-Chlorophenylthio)-N'-((8-methylquinolin-6-yl)methylene)acetohydrazide
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Structure
Formula
C19H16ClN3OS
Molecular Weight
369.877
Canonical SMILES
Cc1cc(/C=N/NC(=O)CSc2cccc(Cl)c2)cc2cccnc12
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InChI
InChI=1S/C19H16ClN3OS/c1-13-8-14(9-15-4-3-7-21-19(13)15)11-22-23-18(24)12-25-17-6-2-5-16(20)10-17/h2-11H,12H2,1H3,(H,23,24)/b22-11+
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InChIKey
OEJWCNMMIJEQBT-SSDVNMTOSA-N
Physicochemical Property
logP
4.43902
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
54.35
Hydrogen Bond Donor Count
1
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: 49835269
SID: 103910233
ChEMBL ID
CHEMBL3934275
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 = 830 nM
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