General Information of the Compound
| Compound ID |
CP0507025
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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-phenoxy-ethyl)-propionamide
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| Structure |
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| Formula |
C28H26ClN3O4S
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| Molecular Weight |
536.053
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CCC(=O)NCCOc2ccccc2)c1=O
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| InChI |
InChI=1S/C28H26ClN3O4S/c1-35-23-12-10-22(11-13-23)32-28(34)20(19-27(31-32)37-25-14-8-21(29)9-15-25)7-16-26(33)30-17-18-36-24-5-3-2-4-6-24/h2-6,8-15,19H,7,16-18H2,1H3,(H,30,33)
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| InChIKey |
SZUBEEHEROIUPN-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