General Information of the Compound
| Compound ID |
CP0480178
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| Compound Name |
[2-amino-2-(hydroxymethyl)-4-[4-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]phenyl]butyl] dihydrogen phosphate
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| Structure |
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| Formula |
C22H27N2O7P
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| Molecular Weight |
462.439
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| Canonical SMILES |
COc1ccc(Cc2nc(co2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
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| InChI |
InChI=1S/C22H27N2O7P/c1-29-19-8-4-17(5-9-19)12-21-24-20(13-30-21)18-6-2-16(3-7-18)10-11-22(23,14-25)15-31-32(26,27)28/h2-9,13,25H,10-12,14-15,23H2,1H3,(H2,26,27,28)
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| InChIKey |
HWEUOGCBOUCSRY-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