General Information of the Compound
| Compound ID |
CP0450596
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| Compound Name |
(2S)-2-amino-3-[[2,2-difluoro-3-[3-(2-undecoxyphenyl)propanoyloxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
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| Structure |
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| Formula |
C26H42F2NO9P
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| Molecular Weight |
581.59
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| Canonical SMILES |
CCCCCCCCCCCOc1ccccc1CCC(=O)OCC(F)(F)COP(O)(=O)OC[C@H](N)C(O)=O
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| InChI |
InChI=1S/C26H42F2NO9P/c1-2-3-4-5-6-7-8-9-12-17-35-23-14-11-10-13-21(23)15-16-24(30)36-19-26(27,28)20-38-39(33,34)37-18-22(29)25(31)32/h10-11,13-14,22H,2-9,12,15-20,29H2,1H3,(H,31,32)(H,33,34)/t22-/m0/s1
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| InChIKey |
JVTWQEXFPZBCJA-QFIPXVFZSA-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: PT06255, Probable G-protein coupled receptor 174
Protein ID: PT06254, Probable G-protein coupled receptor 34