General Information of the Compound
| Compound ID |
CP0434545
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| Compound Name |
2-[(3S)-5,7-difluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
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| Structure |
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| Formula |
C19H15F2N3O5
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| Molecular Weight |
403.341
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| Canonical SMILES |
NC(=O)C[C@H]1COc2cc(F)cc(F)c2N1C(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C19H15F2N3O5/c20-10-4-12(21)18-15(5-10)28-7-11(6-16(22)25)24(18)19(27)9-1-2-14-13(3-9)23-17(26)8-29-14/h1-5,11H,6-8H2,(H2,22,25)(H,23,26)/t11-/m0/s1
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| InChIKey |
FDNJKRDYTFEETA-NSHDSACASA-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