General Information of the Compound
| Compound ID |
CP0565361
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| Compound Name |
2-[1-acetyl-3-[[4-[(2-methylquinolin-4-yl)methylsulfanyl]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide
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| Structure |
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| Formula |
C24H26N4O5S2
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| Molecular Weight |
514.629
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| Canonical SMILES |
CC(=O)N1CC(CC(=O)NO)(C1)NS(=O)(=O)c1ccc(SCc2cc(C)nc3ccccc23)cc1
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| InChI |
InChI=1S/C24H26N4O5S2/c1-16-11-18(21-5-3-4-6-22(21)25-16)13-34-19-7-9-20(10-8-19)35(32,33)27-24(12-23(30)26-31)14-28(15-24)17(2)29/h3-11,27,31H,12-15H2,1-2H3,(H,26,30)
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| InChIKey |
NVDSVQKWYCRKMS-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