General Information of the Compound
| Compound ID |
CP0457809
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| Compound Name |
[(1R,2R,4aR,5S,6S,8aS)-5-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2-methoxy-1,4a-dimethylspiro[3,4,5,7,8,8a-hexahydro-2H-naphthalene-6,2'-oxirane]-1-yl]methanol
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| Structure |
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| Formula |
C28H34FNO3
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| Molecular Weight |
451.582
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| Canonical SMILES |
CO[C@@H]1CC[C@]2(C)[C@H](CC[C@@]3(CO3)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)[C@]1(C)CO
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| InChI |
InChI=1S/C28H34FNO3/c1-26-13-12-25(32-3)27(2,17-31)23(26)11-14-28(18-33-28)24(26)10-9-22-8-7-20(16-30-22)19-5-4-6-21(29)15-19/h4-10,15-16,23-25,31H,11-14,17-18H2,1-3H3/b10-9+/t23-,24-,25+,26+,27-,28+/m0/s1
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| InChIKey |
RJXBQFCHVLEXPM-LEIGURAJSA-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