General Information of the Compound
| Compound ID |
CP0496616
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| Compound Name |
3-[6-(4-Chloro-phenylsulfanyl)-2-(4-methoxy-phenyl)-3-oxo-2,3-dihydro-pyridazin-4-yl]-N-(2-oxo-azepan-3-yl)-propionamide
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| Structure |
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| Formula |
C26H27ClN4O4S
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| Molecular Weight |
527.046
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CCC(=O)NC2CCCCNC2=O)c1=O
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| InChI |
InChI=1S/C26H27ClN4O4S/c1-35-20-10-8-19(9-11-20)31-26(34)17(16-24(30-31)36-21-12-6-18(27)7-13-21)5-14-23(32)29-22-4-2-3-15-28-25(22)33/h6-13,16,22H,2-5,14-15H2,1H3,(H,28,33)(H,29,32)
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| InChIKey |
WIQSKJYQQHUGDR-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