General Information of the Compound
Compound ID
CP0562767
Compound Name
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(2-hydroxyethylimino)-3-(2-methylphenyl)-1,3-thiazolidin-4-one
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Formula
C19H17ClN2O3S
Molecular Weight
388.876
Canonical SMILES
Cc1ccccc1N1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\CCO
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InChI
InChI=1S/C19H17ClN2O3S/c1-12-4-2-3-5-15(12)22-18(25)17(26-19(22)21-8-9-23)11-13-6-7-16(24)14(20)10-13/h2-7,10-11,23-24H,8-9H2,1H3/b17-11-,21-19-
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InChIKey
IQCGBYCPICAJPR-WQZDFCHPSA-N
Physicochemical Property
logP
3.82322
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
73.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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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ChEMBL ID
CHEMBL4793543
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: PT01688, Sphingosine 1-phosphate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000436 PathHunter CHO-K1 EDG1 beta-arrestin Cricetulus griseus (Chinese hamster)  1
1
IC50 > 1000 nM
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