General Information of the Compound
| Compound ID |
CP0454271
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| Compound Name |
(Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-imino-3-phenyl-thiazolidin-4-one
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| Structure |
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| Formula |
C16H11ClN2O2S
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| Molecular Weight |
330.796
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| Canonical SMILES |
Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C16H11ClN2O2S/c17-12-8-10(6-7-13(12)20)9-14-15(21)19(16(18)22-14)11-4-2-1-3-5-11/h1-9,18,20H/b14-9-,18-16?
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| InChIKey |
GZEHRKGJMKCWPS-PHUAOCSASA-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