General Information of the Compound
| Compound ID |
CP0902056
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| Compound Name |
(4R,4aR,5R,11bS)-methyl 5-(benzoyloxy)-4,11b-dimethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro[3,2-b]furan-4-carboxylate
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| Structure |
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| Formula |
C27H28O5
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| Molecular Weight |
432.516
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| Canonical SMILES |
COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](OC(=O)c3ccccc3)[C@@H]12
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| InChI |
InChI=1S/C27H28O5/c1-26-11-7-12-27(2,25(29)30-3)23(26)22(32-24(28)17-8-5-4-6-9-17)15-19-14-18-10-13-31-21(18)16-20(19)26/h4-6,8-10,13-14,16,22-23H,7,11-12,15H2,1-3H3/t22-,23-,26-,27-/m1/s1
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| InChIKey |
WWWOXCJIQWQXBJ-FKDDUOCFSA-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