General Information of the Compound
| Compound ID |
CP0466039
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| Compound Name |
2-[1-acetyl-3-[[2-methyl-4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide
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| Structure |
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| Formula |
C25H28N4O6S
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| Molecular Weight |
512.588
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| Canonical SMILES |
CC(=O)N1CC(CC(=O)NO)(C1)NS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1C
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| InChI |
InChI=1S/C25H28N4O6S/c1-16-10-20(35-13-19-11-17(2)26-22-7-5-4-6-21(19)22)8-9-23(16)36(33,34)28-25(12-24(31)27-32)14-29(15-25)18(3)30/h4-11,28,32H,12-15H2,1-3H3,(H,27,31)
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| InChIKey |
VUXYFAIWNRYREO-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