General Information of the Compound
| Compound ID |
CP0510858
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| Compound Name |
2-Amino-4-[2'-fluoro-4'-(3-methylphenylthio)biphenyl-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 |
Cc1cccc(Sc2ccc(c(F)c2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)c1
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| InChI |
InChI=1S/C24H27FNO5PS/c1-17-3-2-4-20(13-17)33-21-9-10-22(23(25)14-21)19-7-5-18(6-8-19)11-12-24(26,15-27)16-31-32(28,29)30/h2-10,13-14,27H,11-12,15-16,26H2,1H3,(H2,28,29,30)
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| InChIKey |
OXHJCCNQRFGZGH-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