General Information of the Compound
| Compound ID |
CP0874680
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| Compound Name |
(2S,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yloxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-3,4-diyl bis(ethylcarbamate)
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| Structure |
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| Formula |
C27H30N2O12
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| Molecular Weight |
574.539
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| Canonical SMILES |
CCNC(=O)O[C@@H]1[C@@H](OC(=O)NCC)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H]1C
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| InChI |
InChI=1S/C27H30N2O12/c1-4-28-26(35)40-21-12(3)37-25(20(34)24(21)41-27(36)29-5-2)39-23-19(33)18-16(32)10-15(31)11-17(18)38-22(23)13-6-8-14(30)9-7-13/h6-12,20-21,24-25,30-32,34H,4-5H2,1-3H3,(H,28,35)(H,29,36)/t12-,20+,21-,24-,25-/m0/s1
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| InChIKey |
SERSGMCWKITHQQ-NIKYMLFTSA-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