General Information of the Compound
| Compound ID |
CP0886328
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| Compound Name |
S,S'-{8-[(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}-ethyl)(methyl)amino]-8-oxooctane-1,3-diyl} Diethanethioate
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| Structure |
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| Formula |
C25H34N2O6S3
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| Molecular Weight |
554.756
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| Canonical SMILES |
CC(=O)SCCC(CCCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1)SC(C)=O
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| InChI |
InChI=1S/C25H34N2O6S3/c1-17(28)34-15-12-21(35-18(2)29)6-4-5-7-23(30)27(3)13-14-33-20-10-8-19(9-11-20)16-22-24(31)26-25(32)36-22/h8-11,21-22H,4-7,12-16H2,1-3H3,(H,26,31,32)
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| InChIKey |
WZYHYLGLNJTVHU-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