General Information of the Compound
| Compound ID |
CP0257149
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| Compound Name |
4-(3,5-Bis-trifluoromethyl-benzenesulfonylaminocarbonyl)-piperidine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C19H22F6N2O5S
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| Molecular Weight |
504.449
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C19H22F6N2O5S/c1-17(2,3)32-16(29)27-6-4-11(5-7-27)15(28)26-33(30,31)14-9-12(18(20,21)22)8-13(10-14)19(23,24)25/h8-11H,4-7H2,1-3H3,(H,26,28)
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| InChIKey |
ZNKWCSOZOMTXLO-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