General Information of the Compound
| Compound ID |
CP0459594
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| Compound Name |
6-[1-ethyl-5-(4-fluorophenyl)-3-methylpyrazol-4-yl]-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 |
CCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C20H18FN3O2/c1-3-24-20(13-4-7-15(21)8-5-13)19(12(2)23-24)14-6-9-17-16(10-14)22-18(25)11-26-17/h4-10H,3,11H2,1-2H3,(H,22,25)
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| InChIKey |
PDLOYUHTWCCRIM-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