General Information of the Compound
| Compound ID |
CP0448339
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| Compound Name |
[(2R)-2-amino-3-[[2-ethyl-4-[4-(4-methylphenyl)butanoyl]phenyl]methoxy]-2-methylpropyl] dihydrogen phosphate
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| Structure |
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| Formula |
C24H34NO6P
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| Molecular Weight |
463.511
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| Canonical SMILES |
CCc1cc(ccc1COC[C@@](C)(N)COP(O)(O)=O)C(=O)CCCc1ccc(C)cc1
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| InChI |
InChI=1S/C24H34NO6P/c1-4-20-14-21(23(26)7-5-6-19-10-8-18(2)9-11-19)12-13-22(20)15-30-16-24(3,25)17-31-32(27,28)29/h8-14H,4-7,15-17,25H2,1-3H3,(H2,27,28,29)/t24-/m1/s1
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| InChIKey |
QRJUVXJBZLYAMH-XMMPIXPASA-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