General Information of the Compound
| Compound ID |
CP0456029
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| Compound Name |
[2-amino-2-(hydroxymethyl)-4-[4-[2-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-4-yl]phenyl]butyl] dihydrogen phosphate
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| Structure |
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| Formula |
C24H31N2O6P
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| Molecular Weight |
474.494
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| Canonical SMILES |
CC(C)c1ccc(Cc2nc(co2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
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| InChI |
InChI=1S/C24H31N2O6P/c1-17(2)20-7-5-19(6-8-20)13-23-26-22(14-31-23)21-9-3-18(4-10-21)11-12-24(25,15-27)16-32-33(28,29)30/h3-10,14,17,27H,11-13,15-16,25H2,1-2H3,(H2,28,29,30)
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| InChIKey |
LIAGRICKDAADST-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