General Information of the Compound
| Compound ID |
CP0554577
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| Compound Name |
[(1R,5bS,11aS,13R,13aS,13bS)-13-acetyloxy-1-hydroxy-8,8,11a,13a-tetramethyl-1,3,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-5b-yl]methyl acetate
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| Structure |
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| Formula |
C29H44O6
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| Molecular Weight |
488.665
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| Canonical SMILES |
CC(=O)OC[C@@]12CCC3C(C)(C)CCC[C@]3(C)C1C[C@@H](OC(C)=O)[C@]1(C)[C@H]3[C@H](O)OCC3=CCC21
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| InChI |
InChI=1S/C29H44O6/c1-17(30)34-16-29-13-10-20-26(3,4)11-7-12-27(20,5)22(29)14-23(35-18(2)31)28(6)21(29)9-8-19-15-33-25(32)24(19)28/h8,20-25,32H,7,9-16H2,1-6H3/t20?,21?,22?,23-,24-,25-,27+,28-,29-/m1/s1
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| InChIKey |
RYAKMXYURBKSKR-OOWAXCPLSA-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