General Information of the Compound
| Compound ID |
CP0938860
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| Compound Name |
4,4'-[{8-[(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}-ethyl)(methyl)amino]-8-oxooctane-1,3-diyl}bis(thio)]bis(4-oxobutanoic acid) disodium salt
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| Structure |
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| Formula |
C29H36N2Na2O10S3
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| Molecular Weight |
714.792
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| Canonical SMILES |
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)C(=O)CCCCC(CCSC(=O)CCC(=O)[O-])SC(=O)CCC(=O)[O-].[Na+].[Na+]
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| InChI |
InChI=1S/C29H38N2O10S3.2Na/c1-31(15-16-41-20-8-6-19(7-9-20)18-22-28(39)30-29(40)44-22)23(32)5-3-2-4-21(43-27(38)13-11-25(35)36)14-17-42-26(37)12-10-24(33)34;;/h6-9,21-22H,2-5,10-18H2,1H3,(H,33,34)(H,35,36)(H,30,39,40);;/q;2*+1/p-2
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| InChIKey |
JRVKBNKIKYFANW-UHFFFAOYSA-L
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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