General Information of the Compound
| Compound ID |
CP0428027
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| Compound Name |
6-[5-(2,4-difluorophenyl)-1,3-dimethylpyrazol-4-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C19H15F2N3O2
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| Molecular Weight |
355.344
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| Canonical SMILES |
Cc1nn(C)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C19H15F2N3O2/c1-10-18(11-3-6-16-15(7-11)22-17(25)9-26-16)19(24(2)23-10)13-5-4-12(20)8-14(13)21/h3-8H,9H2,1-2H3,(H,22,25)
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| InChIKey |
MWMYJWOQNQECID-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