General Information of the Compound
| Compound ID |
CP0454269
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| Compound Name |
(Z,Z)-3-Benzyl-5-(3-chloro-4-hydroxy-benzylidene)-2-isopropylimino-thiazolidin-4-one
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| Formula |
C20H19ClN2O2S
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| Molecular Weight |
386.904
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| Canonical SMILES |
CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccccc1
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| InChI |
InChI=1S/C20H19ClN2O2S/c1-13(2)22-20-23(12-14-6-4-3-5-7-14)19(25)18(26-20)11-15-8-9-17(24)16(21)10-15/h3-11,13,24H,12H2,1-2H3/b18-11-,22-20-
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| InChIKey |
USKLIVUVJVJBHF-CXDOZEDNSA-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