General Information of the Compound
| Compound ID |
CP0906687
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| Compound Name |
2-amino-4-(4-(4-butylphenoxy)-2-fluorophenyl)-2-(hydroxymethyl)butyl dihydrogen phosphate
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| Structure |
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| Formula |
C21H29FNO6P
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| Molecular Weight |
441.436
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| Canonical SMILES |
CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)c(F)c2)cc1
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| InChI |
InChI=1S/C21H29FNO6P/c1-2-3-4-16-5-8-18(9-6-16)29-19-10-7-17(20(22)13-19)11-12-21(23,14-24)15-28-30(25,26)27/h5-10,13,24H,2-4,11-12,14-15,23H2,1H3,(H2,25,26,27)
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| InChIKey |
DDFUBEFBOURULF-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