General Information of the Compound
| Compound ID |
CP0264359
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| Compound Name |
(2S)-N-Ethyl-2-{[4-({[5-(phenylsulfonyl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)piperidin-1-yl]carbonyl}pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C26H31F3N4O6S2
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| Molecular Weight |
616.684
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| Canonical SMILES |
CCNC(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C26H31F3N4O6S2/c1-2-30-25(35)33-14-6-9-22(33)24(34)32-15-12-18(13-16-32)31-41(38,39)23-17-20(10-11-21(23)26(27,28)29)40(36,37)19-7-4-3-5-8-19/h3-5,7-8,10-11,17-18,22,31H,2,6,9,12-16H2,1H3,(H,30,35)/t22-/m0/s1
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| InChIKey |
XIZVLGVGWZCHHV-QFIPXVFZSA-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