General Information of the Compound
| Compound ID |
CP0463484
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| Compound Name |
[2-amino-2-(hydroxymethyl)-4-[4-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]phenyl]butyl] dihydrogen phosphate
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| Structure |
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| Formula |
C22H24F3N2O6P
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| Molecular Weight |
500.41
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| Canonical SMILES |
NC(CO)(CCc1ccc(cc1)-c1coc(Cc2ccc(cc2)C(F)(F)F)n1)COP(O)(O)=O
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| InChI |
InChI=1S/C22H24F3N2O6P/c23-22(24,25)18-7-3-16(4-8-18)11-20-27-19(12-32-20)17-5-1-15(2-6-17)9-10-21(26,13-28)14-33-34(29,30)31/h1-8,12,28H,9-11,13-14,26H2,(H2,29,30,31)
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| InChIKey |
ZHYKYMFLSZLWRO-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