General Information of the Compound
| Compound ID |
CP0524531
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| Compound Name |
6-[2-(4-fluorophenyl)-5-(hydroxymethyl)pyrazol-3-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C18H14FN3O3
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| Molecular Weight |
339.326
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| Canonical SMILES |
OCc1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C18H14FN3O3/c19-12-2-4-14(5-3-12)22-16(8-13(9-23)21-22)11-1-6-17-15(7-11)20-18(24)10-25-17/h1-8,23H,9-10H2,(H,20,24)
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| InChIKey |
RTBXMJGSEHABCZ-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