General Information of the Compound
| Compound ID |
CP0857728
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| Compound Name |
4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)-4-[4-(3-nitrophenyl)phenoxy]butyl]-N-methylbenzamide
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| Structure |
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| Formula |
C27H25N3O6S
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| Molecular Weight |
519.579
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| Canonical SMILES |
CNC(=O)c1ccc(CCC(COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1
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| InChI |
InChI=1S/C27H25N3O6S/c1-28-26(32)20-8-5-18(6-9-20)7-12-23(29-25(31)17-37-27(29)33)16-36-24-13-10-19(11-14-24)21-3-2-4-22(15-21)30(34)35/h2-6,8-11,13-15,23H,7,12,16-17H2,1H3,(H,28,32)
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| InChIKey |
VYPHRFDTPMBXEN-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