General Information of the Compound
| Compound ID |
CP0846818
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| Compound Name |
(3S,4R,5R)-5-benzyl-4-{[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis(phosphonatooxy)oxan-2-yl]oxy}oxolan-3-yl phosphate
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| Structure |
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| Formula |
C17H27O17P3
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| Molecular Weight |
596.308
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| Canonical SMILES |
O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](OP(=O)(O)O)CO[C@@H]2Cc2ccccc2)O[C@H](CO)[C@H]1OP(=O)(O)O
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| InChI |
InChI=1S/C17H27O17P3/c18-7-11-15(33-36(23,24)25)16(34-37(26,27)28)13(19)17(30-11)31-14-10(6-9-4-2-1-3-5-9)29-8-12(14)32-35(20,21)22/h1-5,10-19H,6-8H2,(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)/t10-,11-,12+,13-,14-,15-,16-,17-/m1/s1
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| InChIKey |
FOGVXIHYIXWQKC-ZLIZXFABSA-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