General Information of the Compound
| Compound ID |
CP0445219
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| Compound Name |
7-(4-Fluorophenyl)-5,5-dimethyl-1,5-dihydro-4,1-benzoxazepin-2(H)-one
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| Structure |
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| Formula |
C17H16FNO2
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| Molecular Weight |
285.318
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| Canonical SMILES |
CC1(C)OCC(=O)Nc2ccc(cc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C17H16FNO2/c1-17(2)14-9-12(11-3-6-13(18)7-4-11)5-8-15(14)19-16(20)10-21-17/h3-9H,10H2,1-2H3,(H,19,20)
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| InChIKey |
YNXVUMWULRNODW-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