General Information of the Compound
| Compound ID |
CP0511215
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| Compound Name |
(2S)-2-amino-3-[hydroxy-[3-[3-(4-undecoxyphenyl)propanoyloxy]propoxy]phosphoryl]oxypropanoic acid
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| Structure |
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| Formula |
C26H44NO9P
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| Molecular Weight |
545.61
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| Canonical SMILES |
CCCCCCCCCCCOc1ccc(CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)cc1
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| InChI |
InChI=1S/C26H44NO9P/c1-2-3-4-5-6-7-8-9-10-18-33-23-15-12-22(13-16-23)14-17-25(28)34-19-11-20-35-37(31,32)36-21-24(27)26(29)30/h12-13,15-16,24H,2-11,14,17-21,27H2,1H3,(H,29,30)(H,31,32)/t24-/m0/s1
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| InChIKey |
LSCJPEVNUYGUBE-DEOSSOPVSA-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