General Information of the Compound
| Compound ID |
CP0433944
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| Compound Name |
(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[3-(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)c2cccc(c2)C(F)(F)F)n1
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| InChI |
InChI=1S/C23H22F3N3O4S2/c1-33-17-10-8-15(9-11-17)19-14-34-22(27-19)28-21(30)20-7-2-3-12-29(20)35(31,32)18-6-4-5-16(13-18)23(24,25)26/h4-6,8-11,13-14,20H,2-3,7,12H2,1H3,(H,27,28,30)/t20-/m1/s1
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| InChIKey |
BWBXOBFPELPHEA-HXUWFJFHSA-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