General Information of the Compound
| Compound ID |
CP0517158
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| Compound Name |
[(6aR,9aR)-9a-(4-fluorophenyl)sulfonyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,8,9-tetrahydro-5H-pyrrolo[2,3-h]isoquinolin-7-yl]-(1,1-dioxothian-4-yl)methanone
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| Formula |
C26H24F8N2O5S2
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| Molecular Weight |
660.605
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ncc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C26H24F8N2O5S2/c27-17-2-4-18(5-3-17)43(40,41)23-9-10-36(22(37)15-7-11-42(38,39)12-8-15)21(23)6-1-16-13-20(35-14-19(16)23)24(28,25(29,30)31)26(32,33)34/h2-5,13-15,21H,1,6-12H2/t21-,23-/m1/s1
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| InChIKey |
VZOBOIRTGNHJNP-FYYLOGMGSA-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