General Information of the Compound
| Compound ID |
CP0423679
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| Compound Name |
(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methylphenyl)sulfonylpiperidine-2-carboxamide
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| Structure |
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| Formula |
C23H25N3O4S2
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| Molecular Weight |
471.604
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc(C)c2)n1
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| InChI |
InChI=1S/C23H25N3O4S2/c1-16-6-5-7-19(14-16)32(28,29)26-13-4-3-8-21(26)22(27)25-23-24-20(15-31-23)17-9-11-18(30-2)12-10-17/h5-7,9-12,14-15,21H,3-4,8,13H2,1-2H3,(H,24,25,27)/t21-/m1/s1
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| InChIKey |
GHFNEDCFRFXUPC-OAQYLSRUSA-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