General Information of the Compound
| Compound ID |
CP0493559
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| Compound Name |
methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-6-(methylamino)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
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| Structure |
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| Formula |
C28H29NO7
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| Molecular Weight |
491.54
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| Canonical SMILES |
CNc1cc2O[C@]3([C@@H]([C@H]([C@@H](O)[C@@]3(O)c2c(OC)c1)C(=O)OC)c1ccccc1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C28H29NO7/c1-29-18-14-20(34-3)24-21(15-18)36-28(17-10-12-19(33-2)13-11-17)23(16-8-6-5-7-9-16)22(26(31)35-4)25(30)27(24,28)32/h5-15,22-23,25,29-30,32H,1-4H3/t22-,23-,25-,27+,28+/m1/s1
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| InChIKey |
YXQHJBAHHCCSAR-GWNOIRNCSA-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