General Information of the Compound
| Compound ID |
CP0912418
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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 dimorpholine-4-carboxylate
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| Structure |
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| Formula |
C31H34N2O14
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| Molecular Weight |
658.613
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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)N2CCOCC2)[C@H]1OC(=O)N1CCOCC1
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| InChI |
InChI=1S/C31H34N2O14/c1-16-25(46-30(39)32-6-10-41-11-7-32)28(47-31(40)33-8-12-42-13-9-33)24(38)29(43-16)45-27-23(37)22-20(36)14-19(35)15-21(22)44-26(27)17-2-4-18(34)5-3-17/h2-5,14-16,24-25,28-29,34-36,38H,6-13H2,1H3/t16-,24+,25-,28-,29-/m0/s1
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| InChIKey |
YRGGPPBVBFHEBQ-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