General Information of the Compound
| Compound ID |
CP0379930
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| Compound Name |
6-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-8-methyl-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C20H18FN3O2
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| Molecular Weight |
351.381
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| Canonical SMILES |
Cc1nn(C)c(c1-c1cc(C)c2OCC(=O)Nc2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C20H18FN3O2/c1-11-8-14(9-16-20(11)26-10-17(25)22-16)18-12(2)23-24(3)19(18)13-4-6-15(21)7-5-13/h4-9H,10H2,1-3H3,(H,22,25)
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| InChIKey |
AMIFKUCPDVXAKP-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