General Information of the Compound
| Compound ID |
CP0495815
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| Compound Name |
(Z,Z)-5-[4-(3-Hydroxy-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
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| Formula |
C22H24N2O3S
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| Molecular Weight |
396.512
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| Canonical SMILES |
CC(C)\N=C1/S\C(=C/c2ccc(OCCCO)cc2)C(=O)N1c1ccccc1
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| InChI |
InChI=1S/C22H24N2O3S/c1-16(2)23-22-24(18-7-4-3-5-8-18)21(26)20(28-22)15-17-9-11-19(12-10-17)27-14-6-13-25/h3-5,7-12,15-16,25H,6,13-14H2,1-2H3/b20-15-,23-22-
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| InChIKey |
WBYAFZQOHLFETL-BLFRMDKKSA-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