General Information of the Compound
| Compound ID |
CP0436353
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| Compound Name |
6-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C19H19FN2O3
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| Molecular Weight |
342.37
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| Canonical SMILES |
C[C@@H]1CN([C@@H](CO1)c1ccccc1F)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C19H19FN2O3/c1-12-9-22(17(10-24-12)14-4-2-3-5-15(14)20)13-6-7-18-16(8-13)21-19(23)11-25-18/h2-8,12,17H,9-11H2,1H3,(H,21,23)/t12-,17+/m1/s1
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| InChIKey |
LNOGJUHPRMJBIN-PXAZEXFGSA-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