General Information of the Compound
| Compound ID |
CP0222295
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| Compound Name |
5-(benzenesulfonyl)-N-[1-[(2S)-1-methylpyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H28F3N3O5S2
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| Molecular Weight |
559.632
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| Canonical SMILES |
CN1CCC[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/C24H28F3N3O5S2/c1-29-13-5-8-21(29)23(31)30-14-11-17(12-15-30)28-37(34,35)22-16-19(9-10-20(22)24(25,26)27)36(32,33)18-6-3-2-4-7-18/h2-4,6-7,9-10,16-17,21,28H,5,8,11-15H2,1H3/t21-/m0/s1
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| InChIKey |
KFRQUJGHHZKEBM-NRFANRHFSA-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