General Information of the Compound
| Compound ID |
CP0224691
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| Compound Name |
2-[(2S)-7-fluoro-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,5-dihydro-2H-4,1-benzoxazepin-2-yl]acetamide
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| Structure |
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| Formula |
C20H18FN3O5
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| Molecular Weight |
399.378
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| Canonical SMILES |
NC(=O)C[C@H]1COCc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C20H18FN3O5/c21-13-2-3-16-12(5-13)8-28-9-14(7-18(22)25)24(16)20(27)11-1-4-17-15(6-11)23-19(26)10-29-17/h1-6,14H,7-10H2,(H2,22,25)(H,23,26)/t14-/m0/s1
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| InChIKey |
ABQVVHVLSBJBNE-AWEZNQCLSA-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