General Information of the Compound
| Compound ID |
CP0454270
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| Compound Name |
(Z,Z)-3-Allyl-5-(3-chloro-4-hydroxy-benzylidene)-2-isopropylimino-thiazolidin-4-one
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| Formula |
C16H17ClN2O2S
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| Molecular Weight |
336.844
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| Canonical SMILES |
CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CC=C
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| InChI |
InChI=1S/C16H17ClN2O2S/c1-4-7-19-15(21)14(22-16(19)18-10(2)3)9-11-5-6-13(20)12(17)8-11/h4-6,8-10,20H,1,7H2,2-3H3/b14-9-,18-16-
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| InChIKey |
FXXMIRTUIIEVPV-BSYVZCAJSA-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