General Information of the Compound
| Compound ID |
CP0366335
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| Compound Name |
2-(4,5-dichloro-6-keto-pyridazin-1-yl)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-acetamide
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| Structure |
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| Formula |
C16H16Cl2N4O3
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| Molecular Weight |
383.235
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| Canonical SMILES |
CN(CC(=O)Nc1ccc(C)cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
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| InChI |
InChI=1S/C16H16Cl2N4O3/c1-10-3-5-11(6-4-10)20-13(23)8-21(2)14(24)9-22-16(25)15(18)12(17)7-19-22/h3-7H,8-9H2,1-2H3,(H,20,23)
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| InChIKey |
IOJBBOQIPQPVEF-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