General Information of the Compound
| Compound ID |
CP0965061
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| Compound Name |
2-((2-chloro-4-fluorobenzylsulfonyl)methyl)-N-(2-(4-methylpiperidin-1-yl)propyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
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| Structure |
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| Formula |
C26H32ClFN4O4S
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| Molecular Weight |
551.084
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| Canonical SMILES |
CC1CCN(C(C)CNC(=O)c2ccc3c(c2)NC(=O)C(CS(=O)(=O)Cc2ccc(F)cc2Cl)N3)CC1
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| InChI |
InChI=1S/C26H32ClFN4O4S/c1-16-7-9-32(10-8-16)17(2)13-29-25(33)18-4-6-22-23(11-18)31-26(34)24(30-22)15-37(35,36)14-19-3-5-20(28)12-21(19)27/h3-6,11-12,16-17,24,30H,7-10,13-15H2,1-2H3,(H,29,33)(H,31,34)
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| InChIKey |
QFXZWFTYZWHXTE-UHFFFAOYSA-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