General Information of the Compound
| Compound ID |
CP0198696
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| Compound Name |
5-(benzenesulfonyl)-N-[1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C29H36F3N3O6S2
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| Molecular Weight |
643.75
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| Canonical SMILES |
CC(C)(C)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/C29H36F3N3O6S2/c1-28(2,3)19-26(36)35-15-7-10-24(35)27(37)34-16-13-20(14-17-34)33-43(40,41)25-18-22(11-12-23(25)29(30,31)32)42(38,39)21-8-5-4-6-9-21/h4-6,8-9,11-12,18,20,24,33H,7,10,13-17,19H2,1-3H3/t24-/m0/s1
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| InChIKey |
WNOXBWBWUOWWNS-DEOSSOPVSA-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