General Information of the Compound
| Compound ID |
CP0352074
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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]-2-hydroxy-2-methylpropanamide
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| Formula |
C25H24F8N2O4S
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| Molecular Weight |
600.528
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| Canonical SMILES |
CC(C)(O)C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1nc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H24F8N2O4S/c1-21(2,37)20(36)35-18-11-12-22(40(38,39)14-5-3-13(26)4-6-14)15(18)7-9-17-16(22)8-10-19(34-17)23(27,24(28,29)30)25(31,32)33/h3-6,8,10,15,18,37H,7,9,11-12H2,1-2H3,(H,35,36)/t15-,18+,22-/m0/s1
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| InChIKey |
AMFWGZXIWGMBRF-REDKUUPNSA-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