General Information of the Compound
| Compound ID |
CP0463736
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| Compound Name |
2-Amino-4-(4'-phenoxybiphenyl-4-yl)-2-(phosphoryloxymethyl)-butanol
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| Structure |
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| Formula |
C23H26NO6P
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| Molecular Weight |
443.436
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| Canonical SMILES |
NC(CO)(CCc1ccc(cc1)-c1ccc(Oc2ccccc2)cc1)COP(O)(O)=O
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| InChI |
InChI=1S/C23H26NO6P/c24-23(16-25,17-29-31(26,27)28)15-14-18-6-8-19(9-7-18)20-10-12-22(13-11-20)30-21-4-2-1-3-5-21/h1-13,25H,14-17,24H2,(H2,26,27,28)
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| InChIKey |
NRSOKUKPKITAQK-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