General Information of the Compound
| Compound ID |
CP0498692
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| Compound Name |
3-[5-(4-fluorophenyl)-3-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazol-1-yl]propanenitrile
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| Structure |
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| Formula |
C21H17FN4O2
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| Molecular Weight |
376.391
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| Canonical SMILES |
Cc1nn(CCC#N)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H17FN4O2/c1-13-20(15-5-8-18-17(11-15)24-19(27)12-28-18)21(26(25-13)10-2-9-23)14-3-6-16(22)7-4-14/h3-8,11H,2,10,12H2,1H3,(H,24,27)
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| InChIKey |
HUPHQPAIUGUHQA-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