General Information of the Compound
| Compound ID |
CP0514180
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| Compound Name |
(Z,Z)-3-[5-(3-Chloro-4-hydroxy-benzylidene)-2-isopropylimino-4-oxo-thiazolidin-3-yl]-propionicacidethylester
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| Formula |
C18H21ClN2O4S
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| Molecular Weight |
396.896
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| Canonical SMILES |
CCOC(=O)CCN1C(=O)\C(S\C1=N/C(C)C)=C\c1ccc(O)c(Cl)c1
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| InChI |
InChI=1S/C18H21ClN2O4S/c1-4-25-16(23)7-8-21-17(24)15(26-18(21)20-11(2)3)10-12-5-6-14(22)13(19)9-12/h5-6,9-11,22H,4,7-8H2,1-3H3/b15-10-,20-18-
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| InChIKey |
XHEVEBXHVNJAJJ-IRPUWQMBSA-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