General Information of the Compound
| Compound ID |
CP0495853
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| Compound Name |
2-amino-4-(2-fluoro-4-pentylphenyl)-2-(hydroxymethyl)butyl dihydrogen phosphate
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| Structure |
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| Formula |
C16H27FNO5P
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| Molecular Weight |
363.366
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| Canonical SMILES |
CCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)c(F)c1
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| InChI |
InChI=1S/C16H27FNO5P/c1-2-3-4-5-13-6-7-14(15(17)10-13)8-9-16(18,11-19)12-23-24(20,21)22/h6-7,10,19H,2-5,8-9,11-12,18H2,1H3,(H2,20,21,22)
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| InChIKey |
SMCAMLBVPBWGKN-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