General Information of the Compound
| Compound ID |
CP0428009
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| Compound Name |
[(2R)-2-amino-2-methyl-3-[[4-[4-(4-methylphenyl)butanoyl]phenyl]methoxy]propyl] dihydrogen phosphate
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| Structure |
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| Formula |
C22H30NO6P
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| Molecular Weight |
435.457
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| Canonical SMILES |
Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)cc2)cc1
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| InChI |
InChI=1S/C22H30NO6P/c1-17-6-8-18(9-7-17)4-3-5-21(24)20-12-10-19(11-13-20)14-28-15-22(2,23)16-29-30(25,26)27/h6-13H,3-5,14-16,23H2,1-2H3,(H2,25,26,27)/t22-/m1/s1
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| InChIKey |
USTGGVSHGSCRNI-JOCHJYFZSA-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