General Information of the Compound
| Compound ID |
CP0352075
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| Compound Name |
N-[(6aS,7R,9aS)-9a-(4-fluorophenyl)sulfonyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5,6,6a,7,8,9-hexahydrocyclopenta[f]quinolin-7-yl]-1,1-dioxothiane-4-carboxamide
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| Formula |
C27H26F8N2O5S2
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| Molecular Weight |
674.632
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)[C@@H]1CCc1nc(ccc21)C(F)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H26F8N2O5S2/c28-16-1-3-17(4-2-16)44(41,42)24-12-9-21(37-23(38)15-10-13-43(39,40)14-11-15)18(24)5-7-20-19(24)6-8-22(36-20)25(29,26(30,31)32)27(33,34)35/h1-4,6,8,15,18,21H,5,7,9-14H2,(H,37,38)/t18-,21+,24-/m0/s1
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| InChIKey |
SSIGTGMTNTUGTL-VNZMSGEBSA-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