General Information of the Compound
| Compound ID |
CP0897100
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| Compound Name |
2-Amino-4-(4'-butoxy-2'-fluorobiphenyl-4-yl)-2-(phosphoryloxymethy)butanol
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| Structure |
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| Formula |
C21H30F2NO6P
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| Molecular Weight |
461.442
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| Canonical SMILES |
CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)c(F)c1.F
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| InChI |
InChI=1S/C21H29FNO6P.FH/c1-2-3-12-28-18-8-9-19(20(22)13-18)17-6-4-16(5-7-17)10-11-21(23,14-24)15-29-30(25,26)27;/h4-9,13,24H,2-3,10-12,14-15,23H2,1H3,(H2,25,26,27);1H
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| InChIKey |
FWSQKUFKMUUSSA-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