General Information of the Compound
| Compound ID |
CP0571089
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| Compound Name |
methyl (1S,2R,4aR,5S,6S,8aS)-2-butanoyloxy-5-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1,4a-dimethylspiro[3,4,5,7,8,8a-hexahydro-2H-naphthalene-6,2'-oxirane]-1-carboxylate
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| Structure |
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| Formula |
C32H38FNO5
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| Molecular Weight |
535.656
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| Canonical SMILES |
CCCC(=O)O[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)C(=O)OC
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| InChI |
InChI=1S/C32H38FNO5/c1-5-7-28(35)39-27-15-16-30(2)25(31(27,3)29(36)37-4)14-17-32(20-38-32)26(30)13-12-24-11-10-22(19-34-24)21-8-6-9-23(33)18-21/h6,8-13,18-19,25-27H,5,7,14-17,20H2,1-4H3/b13-12+/t25-,26-,27+,30+,31-,32+/m0/s1
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| InChIKey |
QOBGKWAIDBDKGK-KQLMWULXSA-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