General Information of the Compound
| Compound ID |
CP0495852
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| Compound Name |
2-Amino-4-[2'-fluoro-4'-(4-methylphenoxy)biphenyl-4-yl]-2-(phosphoryloxymethyl)butanol
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| Structure |
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| Formula |
C24H28NO6P
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| Molecular Weight |
457.463
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| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
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| InChI |
InChI=1S/C24H28NO6P/c1-18-2-10-22(11-3-18)31-23-12-8-21(9-13-23)20-6-4-19(5-7-20)14-15-24(25,16-26)17-30-32(27,28)29/h2-13,26H,14-17,25H2,1H3,(H2,27,28,29)
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| InChIKey |
YITNXPJPZVLMFC-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