General Information of the Compound
| Compound ID |
CP0510981
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| Compound Name |
3-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]-1,3-oxazinan-2-one
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| Structure |
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| Formula |
C25H25N3O5
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| Molecular Weight |
447.491
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2CCCOC2=O)cc1
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| InChI |
InChI=1S/C25H25N3O5/c29-25-27(15-2-16-32-25)23(8-5-19-11-13-26-14-12-19)18-33-24-9-6-20(7-10-24)21-3-1-4-22(17-21)28(30)31/h1,3-4,6-7,9-14,17,23H,2,5,8,15-16,18H2
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| InChIKey |
STKHWLHESIEASL-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