General Information of the Compound
| Compound ID |
CP0874681
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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 dipyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C31H34N2O12
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| Molecular Weight |
626.615
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| Canonical SMILES |
C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)N2CCCC2)[C@H]1OC(=O)N1CCCC1
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| InChI |
InChI=1S/C31H34N2O12/c1-16-25(44-30(39)32-10-2-3-11-32)28(45-31(40)33-12-4-5-13-33)24(38)29(41-16)43-27-23(37)22-20(36)14-19(35)15-21(22)42-26(27)17-6-8-18(34)9-7-17/h6-9,14-16,24-25,28-29,34-36,38H,2-5,10-13H2,1H3/t16-,24+,25-,28-,29-/m0/s1
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| InChIKey |
ZPLPCCUHBNARMU-APXYOUHJSA-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