General Information of the Compound
| Compound ID |
CP0423682
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| Compound Name |
(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-2-carboxamide
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| Structure |
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| Formula |
C21H22N4O4S2
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| Molecular Weight |
458.565
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccnc2)n1
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| InChI |
InChI=1S/C21H22N4O4S2/c1-29-16-9-7-15(8-10-16)18-14-30-21(23-18)24-20(26)19-6-2-3-12-25(19)31(27,28)17-5-4-11-22-13-17/h4-5,7-11,13-14,19H,2-3,6,12H2,1H3,(H,23,24,26)/t19-/m1/s1
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| InChIKey |
SDELEDYMMRUSJK-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