General Information of the Compound
| Compound ID |
CP0567948
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| Compound Name |
6-[5-(4-fluorophenyl)-3-methyl-1-phenylpyrazol-4-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C24H18FN3O2
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| Molecular Weight |
399.425
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| Canonical SMILES |
Cc1nn(c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1)-c1ccccc1
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| InChI |
InChI=1S/C24H18FN3O2/c1-15-23(17-9-12-21-20(13-17)26-22(29)14-30-21)24(16-7-10-18(25)11-8-16)28(27-15)19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,26,29)
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| InChIKey |
MCZKTDZDWUHJSD-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