General Information of the Compound
| Compound ID |
CP0437275
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| Compound Name |
(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)-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 |
C18H18F6N2O2
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| Molecular Weight |
408.342
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| Canonical SMILES |
CC(C)C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C18H18F6N2O2/c1-9(2)3-10-7-28-15-6-13-11(4-14(15)26(10)8-17(19,20)21)12(18(22,23)24)5-16(27)25-13/h4-6,9-10H,3,7-8H2,1-2H3,(H,25,27)/t10-/m1/s1
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| InChIKey |
VBNOPZVOGBGCQR-SNVBAGLBSA-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