General Information of the Compound
| Compound ID |
CP0386278
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| Compound Name |
(2S)-2-amino-3-[[(2S)-2-fluoro-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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| Structure |
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| Formula |
C24H45FNO8P
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| Molecular Weight |
525.595
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](F)COP(O)(=O)OC[C@H](N)C(O)=O
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| InChI |
InChI=1S/C24H45FNO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(25)19-33-35(30,31)34-20-22(26)24(28)29/h9-10,21-22H,2-8,11-20,26H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/m0/s1
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| InChIKey |
DXUUBZLPNHDDHL-QXLPFXRRSA-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
Protein ID: PT06396, Putative P2Y purinoceptor 10