General Information of the Compound
| Compound ID |
CP0547742
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| Compound Name |
6-[1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-4,1-benzoxazepin-7-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H18F3N3O2
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| Molecular Weight |
413.399
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| Canonical SMILES |
NC(=O)c1cccc(n1)-c1ccc2N(CCOCc2c1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H18F3N3O2/c23-22(24,25)16-5-7-17(8-6-16)28-10-11-30-13-15-12-14(4-9-20(15)28)18-2-1-3-19(27-18)21(26)29/h1-9,12H,10-11,13H2,(H2,26,29)
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| InChIKey |
HMXYTGIRFTYLJV-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