General Information of the Compound
| Compound ID |
CP0268314
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| Compound Name |
8-fluoro-6-[2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C19H12F5N3O2
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| Molecular Weight |
409.314
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| Canonical SMILES |
Cc1cc(F)ccc1-n1nc(cc1-c1cc(F)c2OCC(=O)Nc2c1)C(F)(F)F
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| InChI |
InChI=1S/C19H12F5N3O2/c1-9-4-11(20)2-3-14(9)27-15(7-16(26-27)19(22,23)24)10-5-12(21)18-13(6-10)25-17(28)8-29-18/h2-7H,8H2,1H3,(H,25,28)
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| InChIKey |
WEKSEXQGHQCYBF-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