General Information of the Compound
| Compound ID |
CP0523054
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| Compound Name |
[(2R)-2-amino-2-methyl-3-[[3-methyl-4-[4-(4-methylphenyl)butanoyl]phenyl]methoxy]propyl] dihydrogen phosphate
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| Structure |
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| Formula |
C23H32NO6P
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| Molecular Weight |
449.484
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| Canonical SMILES |
Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)cc2C)cc1
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| InChI |
InChI=1S/C23H32NO6P/c1-17-7-9-19(10-8-17)5-4-6-22(25)21-12-11-20(13-18(21)2)14-29-15-23(3,24)16-30-31(26,27)28/h7-13H,4-6,14-16,24H2,1-3H3,(H2,26,27,28)/t23-/m1/s1
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| InChIKey |
QCHBYMVLJFALLE-HSZRJFAPSA-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