General Information of the Compound
| Compound ID |
CP0202912
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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-pyrrolo[2,3-c]quinolin-3-yl]-(4-hydroxy-1,1-dioxothian-4-yl)methanone
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| Structure |
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| Formula |
C26H24F8N2O6S2
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| Molecular Weight |
676.604
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| Canonical SMILES |
OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1CNc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H24F8N2O6S2/c27-16-2-4-17(5-3-16)44(41,42)23-7-10-36(21(37)22(38)8-11-43(39,40)12-9-22)20(23)14-35-19-13-15(1-6-18(19)23)24(28,25(29,30)31)26(32,33)34/h1-6,13,20,35,38H,7-12,14H2/t20-,23-/m1/s1
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| InChIKey |
JVTKTQZHQLEDDU-NFBKMPQASA-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