General Information of the Compound
| Compound ID |
CP0428028
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| Compound Name |
6-[1-benzyl-5-(4-fluorophenyl)-3-methylpyrazol-4-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C25H20FN3O2
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| Molecular Weight |
413.452
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| Canonical SMILES |
Cc1nn(Cc2ccccc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H20FN3O2/c1-16-24(19-9-12-22-21(13-19)27-23(30)15-31-22)25(18-7-10-20(26)11-8-18)29(28-16)14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,27,30)
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| InChIKey |
YBDHLGOMHTXGJP-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
Protein ID: PT00894, Androgen receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor