General Information of the Compound
| Compound ID |
CP0513279
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| Compound Name |
2-Amino-4-(4'-benzylthio-2'-fluorobiphenyl-4-yl)-2-(phosphoryloxymethyl)butanol
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| Structure |
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| Formula |
C24H27FNO5PS
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| Molecular Weight |
491.521
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| Canonical SMILES |
NC(CO)(CCc1ccc(cc1)-c1ccc(SCc2ccccc2)cc1F)COP(O)(O)=O
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| InChI |
InChI=1S/C24H27FNO5PS/c25-23-14-21(33-15-19-4-2-1-3-5-19)10-11-22(23)20-8-6-18(7-9-20)12-13-24(26,16-27)17-31-32(28,29)30/h1-11,14,27H,12-13,15-17,26H2,(H2,28,29,30)
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| InChIKey |
DVJSZJXGRALSDM-UHFFFAOYSA-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