General Information of the Compound
| Compound ID |
CP0328065
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| Compound Name |
(4,5-dichloro-6-oxopyridazin-1-yl)methyl 2-chlorobenzoate
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| Structure |
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| Formula |
C12H7Cl3N2O3
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| Molecular Weight |
333.558
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| Canonical SMILES |
Clc1ccccc1C(=O)OCn1ncc(Cl)c(Cl)c1=O
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| InChI |
InChI=1S/C12H7Cl3N2O3/c13-8-4-2-1-3-7(8)12(19)20-6-17-11(18)10(15)9(14)5-16-17/h1-5H,6H2
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| InChIKey |
XUUFIOHTEHAJQL-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: PT01214, Tyrosine-protein kinase JAK2