General Information of the Compound
| Compound ID |
CP0450599
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| Compound Name |
(2S)-2-amino-3-[hydroxy-[3-[3-(2-nonoxyphenyl)propanoyloxy]propoxy]phosphoryl]oxypropanoic acid
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| Structure |
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| Formula |
C24H40NO9P
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| Molecular Weight |
517.556
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| Canonical SMILES |
CCCCCCCCCOc1ccccc1CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O
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| InChI |
InChI=1S/C24H40NO9P/c1-2-3-4-5-6-7-10-16-31-22-13-9-8-12-20(22)14-15-23(26)32-17-11-18-33-35(29,30)34-19-21(25)24(27)28/h8-9,12-13,21H,2-7,10-11,14-19,25H2,1H3,(H,27,28)(H,29,30)/t21-/m0/s1
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| InChIKey |
OXBAEVIAVYNLMH-NRFANRHFSA-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