General Information of the Compound
| Compound ID |
CP0409605
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| Compound Name |
[(3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3a,4,5-tetrahydro-1H-benzo[e]indol-3-yl]-[(2S,4S)-2-methyl-1,1-dioxothian-4-yl]methanone
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| Structure |
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| Formula |
C28H27F8NO5S2
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| Molecular Weight |
673.644
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| Canonical SMILES |
C[C@H]1C[C@H](CCS1(=O)=O)C(=O)N1CC[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/C28H27F8NO5S2/c1-16-14-18(10-13-43(16,39)40)24(38)37-12-11-25(44(41,42)21-6-4-20(29)5-7-21)22-8-3-19(15-17(22)2-9-23(25)37)26(30,27(31,32)33)28(34,35)36/h3-8,15-16,18,23H,2,9-14H2,1H3/t16-,18-,23+,25+/m0/s1
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| InChIKey |
IOIGWHJVXBSMDU-IFEDRBEMSA-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