General Information of the Compound
| Compound ID |
CP0941279
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| Compound Name |
(R)-2-((5aR,6R,8R,9aR,10R)-6,10-dihydroxy-5a-methyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,8,9,9a,10-octahydropyrano[4,3-b]chromen-8-yl)propane-1,2-diyl diacetate
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| Structure |
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| Formula |
C25H29NO9
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| Molecular Weight |
487.505
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| Canonical SMILES |
CC(=O)OC[C@](C)(OC(C)=O)[C@H]1C[C@@H](O)[C@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@H]2C1
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| InChI |
InChI=1S/C25H29NO9/c1-13(27)32-12-24(3,34-14(2)28)16-8-17-22(30)21-19(35-25(17,4)20(29)9-16)10-18(33-23(21)31)15-6-5-7-26-11-15/h5-7,10-11,16-17,20,22,29-30H,8-9,12H2,1-4H3/t16-,17-,20-,22-,24+,25-/m1/s1
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| InChIKey |
IQTLJIZQLZRFRU-BTUXNFOLSA-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