General Information of the Compound
| Compound ID |
CP0450597
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| Compound Name |
(2S,3S)-2-amino-3-[[(2R)-3-[3-(3-heptoxyphenyl)propanoyloxy]-2-hydroxypropoxy]-hydroxyphosphoryl]oxybutanoic acid
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| Structure |
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| Formula |
C23H38NO10P
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| Molecular Weight |
519.528
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| Canonical SMILES |
CCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O)c1
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| InChI |
InChI=1S/C23H38NO10P/c1-3-4-5-6-7-13-31-20-10-8-9-18(14-20)11-12-21(26)32-15-19(25)16-33-35(29,30)34-17(2)22(24)23(27)28/h8-10,14,17,19,22,25H,3-7,11-13,15-16,24H2,1-2H3,(H,27,28)(H,29,30)/t17-,19+,22-/m0/s1
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| InChIKey |
ITLYIRMTAPOHDS-KPLVRAHFSA-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