General Information of the Compound
| Compound ID |
CP0460428
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| Compound Name |
2-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]-1,2-thiazolidine 1,1-dioxide
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| Structure |
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| Formula |
C24H25N3O5S
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| Molecular Weight |
467.547
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2CCCS2(=O)=O)cc1
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| InChI |
InChI=1S/C24H25N3O5S/c28-27(29)22-4-1-3-21(17-22)20-6-9-24(10-7-20)32-18-23(26-15-2-16-33(26,30)31)8-5-19-11-13-25-14-12-19/h1,3-4,6-7,9-14,17,23H,2,5,8,15-16,18H2
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| InChIKey |
ZNAXHHPPQQZYEU-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