General Information of the Compound
| Compound ID |
CP0547493
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| Compound Name |
ethyl (3S,3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalene-3-carboxylate
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| Structure |
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| Formula |
C25H22F8O4S
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| Molecular Weight |
570.498
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| Canonical SMILES |
CCOC(=O)[C@H]1CC[C@]2([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H22F8O4S/c1-2-37-21(34)18-11-12-22(38(35,36)17-7-5-16(26)6-8-17)19-10-4-15(13-14(19)3-9-20(18)22)23(27,24(28,29)30)25(31,32)33/h4-8,10,13,18,20H,2-3,9,11-12H2,1H3/t18-,20+,22-/m0/s1
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| InChIKey |
OOXYSQKNWMKEJL-DWLFOUALSA-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