General Information of the Compound
| Compound ID |
CP0310849
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| Compound Name |
N-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H28F3N3O6S2
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| Molecular Weight |
587.642
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| Canonical SMILES |
CC(=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/C25H28F3N3O6S2/c1-17(32)31-13-5-8-22(31)24(33)30-14-11-18(12-15-30)29-39(36,37)23-16-20(9-10-21(23)25(26,27)28)38(34,35)19-6-3-2-4-7-19/h2-4,6-7,9-10,16,18,22,29H,5,8,11-15H2,1H3/t22-/m0/s1
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| InChIKey |
OFNCRSCSSBSRLH-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