General Information of the Compound
| Compound ID |
CP0909868
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| Compound Name |
2-amino-2-(hydroxymethyl)-4-(4-(4-propylphenethyl)phenyl)butyl dihydrogen phosphate
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| Structure |
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| Formula |
C22H32NO5P
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| Molecular Weight |
421.474
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| Canonical SMILES |
CCCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1
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| InChI |
InChI=1S/C22H32NO5P/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)14-15-22(23,16-24)17-28-29(25,26)27/h4-7,10-13,24H,2-3,8-9,14-17,23H2,1H3,(H2,25,26,27)
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| InChIKey |
FSYPQYLUYFNWBI-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