General Information of the Compound
| Compound ID |
CP0537267
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| Compound Name |
(2R,4S)-N-[(3R,3aS,9bS)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalen-3-yl]-4-fluoro-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxamide
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| Formula |
C28H25F9N2O4S
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| Molecular Weight |
659.5853053
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| Canonical SMILES |
[2H]C([2H])([2H])N1[C@H](C[C@H](F)C1=O)C(=O)N[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/C28H25F9N2O4S/c1-39-22(13-20(30)24(39)41)23(40)38-21-10-11-25(44(42,43)17-6-4-16(29)5-7-17)18-9-3-15(12-14(18)2-8-19(21)25)26(31,27(32,33)34)28(35,36)37/h3-7,9,12,19-22H,2,8,10-11,13H2,1H3,(H,38,40)/t19-,20-,21+,22+,25+/m0/s1/i1D3
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| InChIKey |
PRJUAPRAKGTSJJ-VDGSWKMJSA-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