General Information of the Compound
| Compound ID |
CP0394101
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| Compound Name |
1-tert-butyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
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| Structure |
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| Formula |
C16H17F3N2O2
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| Molecular Weight |
326.318
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| Canonical SMILES |
CC(C)(C)N1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
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| InChI |
InChI=1S/C16H17F3N2O2/c1-15(2,3)21-4-5-23-13-8-11-9(6-12(13)21)10(16(17,18)19)7-14(22)20-11/h6-8H,4-5H2,1-3H3,(H,20,22)
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| InChIKey |
CPGUJERDXYYCGN-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