General Information of the Compound
| Compound ID |
CP0409138
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| Compound Name |
[2-amino-2-(hydroxymethyl)-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butyl] dihydrogen phosphate;hydrochloride
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| Structure |
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| Formula |
C23H30ClN2O6P
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| Molecular Weight |
496.928
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| Canonical SMILES |
Cl.CCCc1nc(co1)-c1ccc(cc1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
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| InChI |
InChI=1S/C23H29N2O6P.ClH/c1-2-3-22-25-21(14-30-22)20-10-8-19(9-11-20)18-6-4-17(5-7-18)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);1H
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| InChIKey |
NPNGRELCCAWZOQ-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