General Information of the Compound
| Compound ID |
CP0014682
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| Compound Name |
2-(4,5-dichloro-6-keto-pyridazin-1-yl)-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide
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| Structure |
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| Formula |
C18H20Cl2N4O4S
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| Molecular Weight |
459.355
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| Canonical SMILES |
Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCC1
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| InChI |
InChI=1S/C18H20Cl2N4O4S/c1-12-5-6-13(9-15(12)29(27,28)23-7-3-2-4-8-23)22-16(25)11-24-18(26)17(20)14(19)10-21-24/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,22,25)
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| InChIKey |
QLAXAMLCUOJCLU-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8