General Information of the Compound
| Compound ID |
CP0559492
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| Compound Name |
[(3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]-2,3a,4,5-tetrahydro-1H-benzo[e]indol-3-yl]-(4-hydroxy-1,1-dioxothian-4-yl)methanone
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| Structure |
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| Formula |
C32H30F5NO7S2
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| Molecular Weight |
699.716
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| Canonical SMILES |
OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(OCc3c(F)cccc3C(F)(F)F)ccc21)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C32H30F5NO7S2/c33-21-5-8-23(9-6-21)47(43,44)31-12-15-38(29(39)30(40)13-16-46(41,42)17-14-30)28(31)11-4-20-18-22(7-10-25(20)31)45-19-24-26(32(35,36)37)2-1-3-27(24)34/h1-3,5-10,18,28,40H,4,11-17,19H2/t28-,31-/m1/s1
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| InChIKey |
BHOQJZNGXGVETB-GRKNLSHJSA-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