General Information of the Compound
| Compound ID |
CP0212059
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| Compound Name |
tert-butyl 4-[2-[4-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C30H38F3N3O7S2
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| Molecular Weight |
673.776
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(CC2)NS(=O)(=O)c2cc(ccc2C(F)(F)F)S(=O)(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C30H38F3N3O7S2/c1-29(2,3)43-28(38)36-15-11-21(12-16-36)19-27(37)35-17-13-22(14-18-35)34-45(41,42)26-20-24(9-10-25(26)30(31,32)33)44(39,40)23-7-5-4-6-8-23/h4-10,20-22,34H,11-19H2,1-3H3
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| InChIKey |
RGUYWJIIGGMBKL-UHFFFAOYSA-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