General Information of the Compound
| Compound ID |
CP0527118
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| Compound Name |
1-[(3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]-2,3a,4,5-tetrahydro-1H-benzo[e]indol-3-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
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| Structure |
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| Formula |
C32H31F5N2O6S2
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| Molecular Weight |
698.732
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(OCc3c(F)cccc3C(F)(F)F)ccc21)C(=O)CN1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C32H31F5N2O6S2/c33-22-5-8-24(9-6-22)47(43,44)31-12-13-39(30(40)19-38-14-16-46(41,42)17-15-38)29(31)11-4-21-18-23(7-10-26(21)31)45-20-25-27(32(35,36)37)2-1-3-28(25)34/h1-3,5-10,18,29H,4,11-17,19-20H2/t29-,31-/m1/s1
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| InChIKey |
REBDUSIVTUIGLB-BVRKHOPBSA-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