General Information of the Compound
| Compound ID |
CP0372159
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| Compound Name |
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-ethylimino-3-phenyl-thiazolidin-4-one
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| Formula |
C18H15ClN2O2S
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| Molecular Weight |
358.85
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| Canonical SMILES |
CC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
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| InChI |
InChI=1S/C18H15ClN2O2S/c1-2-20-18-21(13-6-4-3-5-7-13)17(23)16(24-18)11-12-8-9-15(22)14(19)10-12/h3-11,22H,2H2,1H3/b16-11-,20-18-
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| InChIKey |
PKCGQPQYFAAAAK-JTHVCAJSSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3