General Information of the Compound
| Compound ID |
CP0441778
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| Compound Name |
1-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]pyrrolidin-2-one
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| Structure |
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| Formula |
C25H25N3O4
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| Molecular Weight |
431.492
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2CCCC2=O)cc1
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| InChI |
InChI=1S/C25H25N3O4/c29-25-5-2-16-27(25)23(9-6-19-12-14-26-15-13-19)18-32-24-10-7-20(8-11-24)21-3-1-4-22(17-21)28(30)31/h1,3-4,7-8,10-15,17,23H,2,5-6,9,16,18H2
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| InChIKey |
DNFYUGQOSDLSNQ-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