General Information of the Compound
| Compound ID |
CP0217285
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| Compound Name |
N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C25H27F3N4O4S
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| Molecular Weight |
536.576
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(CC3)c3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C25H27F3N4O4S/c1-4-32(15(2)33)18-8-9-19(36-3)20-21(18)37-22(29-20)30-23(34)31-12-10-24(35,11-13-31)16-6-5-7-17(14-16)25(26,27)28/h5-9,14,35H,4,10-13H2,1-3H3,(H,29,30,34)
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| InChIKey |
SNJRGPSAULQWEJ-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