General Information of the Compound
| Compound ID |
CP0372152
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| Compound Name |
(Z,Z)-3-[5-(3-Chloro-4-hydroxy-benzylidene)-2-isopropylimino-4-oxo-thiazolidin-3-yl]-propionicacid
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| Formula |
C16H17ClN2O4S
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| Molecular Weight |
368.842
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| Canonical SMILES |
CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CCC(O)=O
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| InChI |
InChI=1S/C16H17ClN2O4S/c1-9(2)18-16-19(6-5-14(21)22)15(23)13(24-16)8-10-3-4-12(20)11(17)7-10/h3-4,7-9,20H,5-6H2,1-2H3,(H,21,22)/b13-8-,18-16-
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| InChIKey |
CZEKQLHBGFIOKS-XBLVXMFCSA-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