General Information of the Compound
| Compound ID |
CP0869942
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| Compound Name |
2-amino-4-(2-hexylchroman-6-yl)-2-(hydroxymethyl)butyl dihydrogen phosphate
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| Structure |
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| Formula |
C20H34NO6P
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| Molecular Weight |
415.467
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| Canonical SMILES |
CCCCCCC1CCc2cc(CCC(N)(CO)COP(=O)(O)O)ccc2O1
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| InChI |
InChI=1S/C20H34NO6P/c1-2-3-4-5-6-18-9-8-17-13-16(7-10-19(17)27-18)11-12-20(21,14-22)15-26-28(23,24)25/h7,10,13,18,22H,2-6,8-9,11-12,14-15,21H2,1H3,(H2,23,24,25)
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| InChIKey |
DYTFBQQAEPIYEE-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