General Information of the Compound
| Compound ID |
CP0863008
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| Compound Name |
4-[3-(2,4-Dioxo-thiazolidin-3-yl)-4-(3'-nitro-biphenyl-4-yloxy)-butyl]-N,N-dimethyl-benzamide
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| Structure |
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| Formula |
C28H27N3O6S
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| Molecular Weight |
533.606
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| Canonical SMILES |
CN(C)C(=O)c1ccc(CCC(COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1
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| InChI |
InChI=1S/C28H27N3O6S/c1-29(2)27(33)21-9-6-19(7-10-21)8-13-24(30-26(32)18-38-28(30)34)17-37-25-14-11-20(12-15-25)22-4-3-5-23(16-22)31(35)36/h3-7,9-12,14-16,24H,8,13,17-18H2,1-2H3
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| InChIKey |
PBZQLPZWMGBOKG-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