General Information of the Compound
| Compound ID |
CP0486295
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| Compound Name |
1-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]piperidin-2-one
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| Structure |
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| Formula |
C26H27N3O4
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| Molecular Weight |
445.519
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2CCCCC2=O)cc1
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| InChI |
InChI=1S/C26H27N3O4/c30-26-6-1-2-17-28(26)24(10-7-20-13-15-27-16-14-20)19-33-25-11-8-21(9-12-25)22-4-3-5-23(18-22)29(31)32/h3-5,8-9,11-16,18,24H,1-2,6-7,10,17,19H2
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| InChIKey |
NRDKFCWQKJPTEO-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