General Information of the Compound
| Compound ID |
CP0074934
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| Compound Name |
6-[2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]-8-methyl-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C20H15F4N3O2
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| Molecular Weight |
405.351
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| Canonical SMILES |
Cc1cc(cc2NC(=O)COc12)-c1cc(nn1-c1ccc(F)cc1C)C(F)(F)F
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| InChI |
InChI=1S/C20H15F4N3O2/c1-10-6-13(21)3-4-15(10)27-16(8-17(26-27)20(22,23)24)12-5-11(2)19-14(7-12)25-18(28)9-29-19/h3-8H,9H2,1-2H3,(H,25,28)
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| InChIKey |
FDFMYVGKENHMGM-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