General Information of the Compound
| Compound ID |
CP0198692
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| Compound Name |
tert-butyl (2S)-2-[4-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C28H32F3N3O8S2
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| Molecular Weight |
659.705
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| Canonical SMILES |
CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C28H32F3N3O8S2/c1-27(2,3)42-26(37)34-22(11-12-24(34)35)25(36)33-15-13-18(14-16-33)32-44(40,41)23-17-20(9-10-21(23)28(29,30)31)43(38,39)19-7-5-4-6-8-19/h4-10,17-18,22,32H,11-16H2,1-3H3/t22-/m0/s1
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| InChIKey |
AFFKILKRCQTYFJ-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