General Information of the Compound
| Compound ID |
CP0395250
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| Compound Name |
(2S)-2-amino-3-[[(2R)-3-[3-(2-heptoxyphenyl)propanoyloxy]-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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| Structure |
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| Formula |
C22H36NO10P
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| Molecular Weight |
505.501
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| Canonical SMILES |
CCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
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| InChI |
InChI=1S/C22H36NO10P/c1-2-3-4-5-8-13-30-20-10-7-6-9-17(20)11-12-21(25)31-14-18(24)15-32-34(28,29)33-16-19(23)22(26)27/h6-7,9-10,18-19,24H,2-5,8,11-16,23H2,1H3,(H,26,27)(H,28,29)/t18-,19+/m1/s1
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| InChIKey |
PEIJVSZKYNNUKV-MOPGFXCFSA-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