General Information of the Compound
| Compound ID |
CP0876228
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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(propylcarbamate)
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| Structure |
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| Formula |
C29H34N2O12
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| Molecular Weight |
602.593
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| Canonical SMILES |
CCCNC(=O)O[C@@H]1[C@@H](OC(=O)NCCC)[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/C29H34N2O12/c1-4-10-30-28(37)42-23-14(3)39-27(22(36)26(23)43-29(38)31-11-5-2)41-25-21(35)20-18(34)12-17(33)13-19(20)40-24(25)15-6-8-16(32)9-7-15/h6-9,12-14,22-23,26-27,32-34,36H,4-5,10-11H2,1-3H3,(H,30,37)(H,31,38)/t14-,22+,23-,26-,27-/m0/s1
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| InChIKey |
FFBNBUQCPQARMQ-QHOMFEBYSA-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