General Information of the Compound
| Compound ID |
CP0861275
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| Compound Name |
1-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C25H23N3O5
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| Molecular Weight |
445.475
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| Canonical SMILES |
O=C1CCC(=O)N1C(CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1
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| InChI |
InChI=1S/C25H23N3O5/c29-24-10-11-25(30)27(24)22(7-4-18-12-14-26-15-13-18)17-33-23-8-5-19(6-9-23)20-2-1-3-21(16-20)28(31)32/h1-3,5-6,8-9,12-16,22H,4,7,10-11,17H2
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| InChIKey |
JANZXFNVGRNHEL-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