General Information of the Compound
| Compound ID |
CP0047365
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| Compound Name |
2-(4,5-dichloro-6-keto-pyridazin-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide
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| Structure |
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| Formula |
C14H12Cl2N4O5
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| Molecular Weight |
387.179
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| Canonical SMILES |
COc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)cc1[N+]([O-])=O
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| InChI |
InChI=1S/C14H12Cl2N4O5/c1-7-3-10(20(23)24)11(25-2)4-9(7)18-12(21)6-19-14(22)13(16)8(15)5-17-19/h3-5H,6H2,1-2H3,(H,18,21)
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| InChIKey |
UUUXFEJDYGEWFZ-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