General Information of the Compound
| Compound ID |
CP0926762
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| Compound Name |
N-(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}-ethyl)-6,8-dimercapto-N-methyloctanamide
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| Structure |
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| Formula |
C21H30N2O4S3
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| Molecular Weight |
470.682
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| Canonical SMILES |
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)C(=O)CCCCC(S)CCS
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| InChI |
InChI=1S/C21H30N2O4S3/c1-23(19(24)5-3-2-4-17(29)10-13-28)11-12-27-16-8-6-15(7-9-16)14-18-20(25)22-21(26)30-18/h6-9,17-18,28-29H,2-5,10-14H2,1H3,(H,22,25,26)
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| InChIKey |
ALOQRLGFDCPDSP-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