General Information of the Compound
| Compound ID |
CP0848807
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| Compound Name |
2-amino-4-(4-((4'-ethyl-[1,1'-biphenyl]-4-yl)oxy)phenyl)-2-(hydroxymethyl)butyl dihydrogen phosphate
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| Structure |
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| Formula |
C25H30NO6P
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| Molecular Weight |
471.49
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| Canonical SMILES |
CCc1ccc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1
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| InChI |
InChI=1S/C25H30NO6P/c1-2-19-3-7-21(8-4-19)22-9-13-24(14-10-22)32-23-11-5-20(6-12-23)15-16-25(26,17-27)18-31-33(28,29)30/h3-14,27H,2,15-18,26H2,1H3,(H2,28,29,30)
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| InChIKey |
FQOXAUYSUIIHDS-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