General Information of the Compound
| Compound ID |
CP0551045
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| Compound Name |
6-[2-(4-methylphenyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C20H22N2O4S
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| Molecular Weight |
386.473
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| Canonical SMILES |
Cc1ccc(cc1)C1CCCCN1S(=O)(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C20H22N2O4S/c1-14-5-7-15(8-6-14)18-4-2-3-11-22(18)27(24,25)16-9-10-19-17(12-16)21-20(23)13-26-19/h5-10,12,18H,2-4,11,13H2,1H3,(H,21,23)
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| InChIKey |
MKYIHEJBAWWZKP-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