General Information of the Compound
| Compound ID |
CP0408153
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| Compound Name |
methyl (1S,2R,4aR,5S,6S,8aS)-2-acetyloxy-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 |
C30H34FNO5
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| Molecular Weight |
507.602
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| Canonical SMILES |
COC(=O)[C@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC[C@@]1(CO1)[C@H]2\C=C\c1ccc(cn1)-c1cccc(F)c1)OC(C)=O
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| InChI |
InChI=1S/C30H34FNO5/c1-19(33)37-26-13-14-28(2)24(29(26,3)27(34)35-4)12-15-30(18-36-30)25(28)11-10-23-9-8-21(17-32-23)20-6-5-7-22(31)16-20/h5-11,16-17,24-26H,12-15,18H2,1-4H3/b11-10+/t24-,25-,26+,28+,29-,30+/m0/s1
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| InChIKey |
WPPXMDJDQZGTPO-UMFQDUJDSA-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