General Information of the Compound
| Compound ID |
CP0289971
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| Compound Name |
5-(benzenesulfonyl)-N-[1-[(2S)-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C27H33F3N4O6S2
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| Molecular Weight |
630.711
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| Canonical SMILES |
CN(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/C27H33F3N4O6S2/c1-32(2)18-25(35)34-14-6-9-23(34)26(36)33-15-12-19(13-16-33)31-42(39,40)24-17-21(10-11-22(24)27(28,29)30)41(37,38)20-7-4-3-5-8-20/h3-5,7-8,10-11,17,19,23,31H,6,9,12-16,18H2,1-2H3/t23-/m0/s1
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| InChIKey |
CVIGLQTTWLTQEY-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