General Information of the Compound
| Compound ID |
CP0403922
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| Compound Name |
6-[4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-methyl-5-oxo-2H-pyrrol-3-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C21H19FN2O4
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| Molecular Weight |
382.391
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| Canonical SMILES |
CC1N(CCO)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H19FN2O4/c1-12-19(14-4-7-17-16(10-14)23-18(26)11-28-17)20(21(27)24(12)8-9-25)13-2-5-15(22)6-3-13/h2-7,10,12,25H,8-9,11H2,1H3,(H,23,26)
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| InChIKey |
DUZYYZCQMINTFP-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: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor