General Information of the Compound
| Compound ID |
CP0489372
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| Compound Name |
6-[4-(4-fluorophenyl)-1,2-dimethyl-5-oxo-2H-pyrrol-3-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C20H17FN2O3
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| Molecular Weight |
352.365
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| Canonical SMILES |
CC1N(C)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H17FN2O3/c1-11-18(13-5-8-16-15(9-13)22-17(24)10-26-16)19(20(25)23(11)2)12-3-6-14(21)7-4-12/h3-9,11H,10H2,1-2H3,(H,22,24)
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| InChIKey |
NZDONLCAMPFJHQ-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