General Information of the Compound
| Compound ID |
CP0289969
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| Compound Name |
5-(benzenesulfonyl)-N-[1-[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C27H32F3N3O6S2
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| Molecular Weight |
615.696
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| Canonical SMILES |
CC(C)C(=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/C27H32F3N3O6S2/c1-18(2)25(34)33-14-6-9-23(33)26(35)32-15-12-19(13-16-32)31-41(38,39)24-17-21(10-11-22(24)27(28,29)30)40(36,37)20-7-4-3-5-8-20/h3-5,7-8,10-11,17-19,23,31H,6,9,12-16H2,1-2H3/t23-/m0/s1
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| InChIKey |
JFPHZEPZNXSNSJ-QHCPKHFHSA-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