General Information of the Compound
| Compound ID |
CP0483282
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| Compound Name |
(2R)-1-(2-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)c2ccccc2C#N)n1
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| InChI |
InChI=1S/C23H22N4O4S2/c1-31-18-11-9-16(10-12-18)19-15-32-23(25-19)26-22(28)20-7-4-5-13-27(20)33(29,30)21-8-3-2-6-17(21)14-24/h2-3,6,8-12,15,20H,4-5,7,13H2,1H3,(H,25,26,28)/t20-/m1/s1
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| InChIKey |
YSTDPMOQUXAVIL-HXUWFJFHSA-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