General Information of the Compound
| Compound ID |
CP0418723
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| Compound Name |
6-[5-(4-fluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C24H19FN4O2
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| Molecular Weight |
414.44
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| Canonical SMILES |
Cc1nn(Cc2ccncc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H19FN4O2/c1-15-23(18-4-7-21-20(12-18)27-22(30)14-31-21)24(17-2-5-19(25)6-3-17)29(28-15)13-16-8-10-26-11-9-16/h2-12H,13-14H2,1H3,(H,27,30)
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| InChIKey |
PDVABSXJIQYWMT-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