General Information of the Compound
| Compound ID |
CP0542201
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| Compound Name |
[2-amino-2-(hydroxymethyl)-4-[4-[2-(4-propylphenyl)-1,3-oxazol-4-yl]phenyl]butyl] dihydrogen phosphate
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| Structure |
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| Formula |
C23H29N2O6P
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| Molecular Weight |
460.467
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| Canonical SMILES |
CCCc1ccc(cc1)-c1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
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| InChI |
InChI=1S/C23H29N2O6P/c1-2-3-17-6-10-20(11-7-17)22-25-21(14-30-22)19-8-4-18(5-9-19)12-13-23(24,15-26)16-31-32(27,28)29/h4-11,14,26H,2-3,12-13,15-16,24H2,1H3,(H2,27,28,29)
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| InChIKey |
ALDJYICSAXWYET-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