General Information of the Compound
| Compound ID |
CP0305824
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| Compound Name |
N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C25H27F3N4O5S2
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| Molecular Weight |
584.642
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C25H27F3N4O5S2/c1-4-32(15(2)33)19-8-9-20(37-3)21-22(19)38-24(29-21)30-23(34)16-10-12-31(13-11-16)39(35,36)18-7-5-6-17(14-18)25(26,27)28/h5-9,14,16H,4,10-13H2,1-3H3,(H,29,30,34)
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| InChIKey |
DSTBNUILTCRZAL-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