General Information of the Compound
| Compound ID |
CP0942098
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| Compound Name |
4-({8-[(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}-ethyl)(methyl)amino]-3-mercapto-8-oxooctyl}thio)-4-oxobutanoic acid sodium salt
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| Structure |
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| Formula |
C25H33N2NaO7S3
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| Molecular Weight |
592.737
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| Canonical SMILES |
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)C(=O)CCCCC(S)CCSC(=O)CCC(=O)[O-].[Na+]
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| InChI |
InChI=1S/C25H34N2O7S3.Na/c1-27(21(28)5-3-2-4-19(35)12-15-36-23(31)11-10-22(29)30)13-14-34-18-8-6-17(7-9-18)16-20-24(32)26-25(33)37-20;/h6-9,19-20,35H,2-5,10-16H2,1H3,(H,29,30)(H,26,32,33);/q;+1/p-1
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| InChIKey |
ZFJFXLALQKYJRC-UHFFFAOYSA-M
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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