General Information of the Compound
| Compound ID |
CP0524532
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| Compound Name |
6-[2-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C18H11F4N3O2
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| Molecular Weight |
377.297
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| Canonical SMILES |
Fc1ccccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
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| InChI |
InChI=1S/C18H11F4N3O2/c19-11-3-1-2-4-13(11)25-14(8-16(24-25)18(20,21)22)10-5-6-15-12(7-10)23-17(26)9-27-15/h1-8H,9H2,(H,23,26)
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| InChIKey |
UVYDCAROMGQSPH-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