General Information of the Compound
| Compound ID |
CP0882274
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| Compound Name |
2-amino-4-(4-(4-(4-ethylbenzyl)phenoxy)phenyl)-2-(hydroxymethyl)butyl dihydrogen phosphate
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| Structure |
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| Formula |
C26H32NO6P
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| Molecular Weight |
485.517
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| Canonical SMILES |
CCc1ccc(Cc2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1
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| InChI |
InChI=1S/C26H32NO6P/c1-2-20-3-5-22(6-4-20)17-23-9-13-25(14-10-23)33-24-11-7-21(8-12-24)15-16-26(27,18-28)19-32-34(29,30)31/h3-14,28H,2,15-19,27H2,1H3,(H2,29,30,31)
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| InChIKey |
WAKMHBIFKMXZJM-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