General Information of the Compound
| Compound ID |
CP0388871
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| Compound Name |
(2S)-2-amino-3-[[(2R)-3-decanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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| Structure |
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| Formula |
C16H32NO9P
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| Molecular Weight |
413.404
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| Canonical SMILES |
CCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
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| InChI |
InChI=1S/C16H32NO9P/c1-2-3-4-5-6-7-8-9-15(19)24-10-13(18)11-25-27(22,23)26-12-14(17)16(20)21/h13-14,18H,2-12,17H2,1H3,(H,20,21)(H,22,23)/t13-,14+/m1/s1
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| InChIKey |
XLFMXEPONOVGCN-KGLIPLIRSA-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: PT06396, Putative P2Y purinoceptor 10