General Information of the Compound
| Compound ID |
CP0480664
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| Compound Name |
6-[2-(4-fluorophenyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C19H11F6N3O2
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| Molecular Weight |
427.304
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| Canonical SMILES |
Fc1ccc(cc1)-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)C(F)(F)F
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| InChI |
InChI=1S/C19H11F6N3O2/c20-11-2-4-12(5-3-11)28-14(8-16(27-28)18(21,22)19(23,24)25)10-1-6-15-13(7-10)26-17(29)9-30-15/h1-8H,9H2,(H,26,29)
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| InChIKey |
INCSCPIHTYHLON-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