General Information of the Compound
| Compound ID |
CP0314996
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| Compound Name |
4-[[2-(4,5-dichloro-6-keto-pyridazin-1-yl)acetyl]amino]benzoic acid ethyl ester
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| Structure |
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| Formula |
C15H13Cl2N3O4
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| Molecular Weight |
370.192
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
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| InChI |
InChI=1S/C15H13Cl2N3O4/c1-2-24-15(23)9-3-5-10(6-4-9)19-12(21)8-20-14(22)13(17)11(16)7-18-20/h3-7H,2,8H2,1H3,(H,19,21)
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| InChIKey |
MDJMMLITJGVNQI-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