General Information of the Compound
| Compound ID |
CP0559307
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| Compound Name |
[(2R,4aS,5S,6S,8aS)-5-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1,1,4a,6-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] ethyl carbonate
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| Structure |
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| Formula |
C30H38FNO3
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| Molecular Weight |
479.636
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| Canonical SMILES |
CCOC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H](C)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1(C)C
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| InChI |
InChI=1S/C30H38FNO3/c1-6-34-28(33)35-27-16-17-30(5)25(20(2)10-15-26(30)29(27,3)4)14-13-24-12-11-22(19-32-24)21-8-7-9-23(31)18-21/h7-9,11-14,18-20,25-27H,6,10,15-17H2,1-5H3/b14-13+/t20-,25+,26+,27+,30-/m0/s1
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| InChIKey |
UBDDIWHAKYWSGD-ORGMBHIXSA-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