General Information of the Compound
| Compound ID |
CP0379105
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| Compound Name |
(2R)-1-(4-cyanophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-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 |
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(cc2)C#N)n1
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| InChI |
InChI=1S/C23H22N4O4S2/c1-31-18-9-7-17(8-10-18)20-15-32-23(25-20)26-22(28)21-4-2-3-13-27(21)33(29,30)19-11-5-16(14-24)6-12-19/h5-12,15,21H,2-4,13H2,1H3,(H,25,26,28)/t21-/m1/s1
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| InChIKey |
IUQJFYIXPYOHPS-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