General Information of the Compound
| Compound ID |
CP0430691
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| Compound Name |
2-Amino-4-[3-chloro-2'-fluoro-4'-(4-methylphenylthio)biphenyl-4-yl]-2-(phosphoryloxymethyl)butanol
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| Structure |
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| Formula |
C24H26ClFNO5PS
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| Molecular Weight |
525.966
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| Canonical SMILES |
Cc1ccc(Sc2ccc(c(F)c2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)c(Cl)c2)cc1
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| InChI |
InChI=1S/C24H26ClFNO5PS/c1-16-2-6-19(7-3-16)34-20-8-9-21(23(26)13-20)18-5-4-17(22(25)12-18)10-11-24(27,14-28)15-32-33(29,30)31/h2-9,12-13,28H,10-11,14-15,27H2,1H3,(H2,29,30,31)
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| InChIKey |
RKQWELQMLDKMRW-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