General Information of the Compound
| Compound ID |
CP0423685
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| Compound Name |
(2R)-N-[5-(1-benzofuran-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
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| Structure |
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| Formula |
C23H22N4O4S2
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| Molecular Weight |
482.587
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nnc(s1)-c1ccc2occc2c1
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| InChI |
InChI=1S/C23H22N4O4S2/c1-15-5-8-18(9-6-15)33(29,30)27-12-3-2-4-19(27)21(28)24-23-26-25-22(32-23)17-7-10-20-16(14-17)11-13-31-20/h5-11,13-14,19H,2-4,12H2,1H3,(H,24,26,28)/t19-/m1/s1
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| InChIKey |
PNUUEZVTQJSIHD-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