General Information of the Compound
| Compound ID |
CP0368938
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| Compound Name |
6-[(3S)-7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C18H15FN2O4
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| Molecular Weight |
342.326
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| Canonical SMILES |
C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C18H15FN2O4/c1-10-8-24-16-7-12(19)3-4-14(16)21(10)18(23)11-2-5-15-13(6-11)20-17(22)9-25-15/h2-7,10H,8-9H2,1H3,(H,20,22)/t10-/m0/s1
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| InChIKey |
MZXJUBCQPAWCDI-JTQLQIEISA-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
Protein ID: PT01154, Mineralocorticoid receptor
Cell-based Assay
Protein ID: PT01631, Mineralocorticoid receptor