General Information of the Compound
| Compound ID |
CP0403714
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| Compound Name |
6-[5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C19H16FN3O2
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| Molecular Weight |
337.354
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| Canonical SMILES |
CCc1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C19H16FN3O2/c1-2-14-10-17(23(22-14)15-6-4-13(20)5-7-15)12-3-8-18-16(9-12)21-19(24)11-25-18/h3-10H,2,11H2,1H3,(H,21,24)
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| InChIKey |
LPFDCHPWYGBTDH-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