General Information of the Compound
| Compound ID |
CP0423688
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| Compound Name |
(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
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| Structure |
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| Formula |
C23H22F3N3O4S2
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| Molecular Weight |
525.574
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2C(F)(F)F)n1
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| InChI |
InChI=1S/C23H22F3N3O4S2/c1-33-16-11-9-15(10-12-16)18-14-34-22(27-18)28-21(30)19-7-4-5-13-29(19)35(31,32)20-8-3-2-6-17(20)23(24,25)26/h2-3,6,8-12,14,19H,4-5,7,13H2,1H3,(H,27,28,30)/t19-/m1/s1
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| InChIKey |
UOABDKNXSCKGLJ-LJQANCHMSA-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