General Information of the Compound
| Compound ID |
CP0176463
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| Compound Name |
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4,5-bis(chloranyl)pyridazin-3-one
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| Structure |
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| Formula |
C13H7BrCl2N4O2
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| Molecular Weight |
402.035
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| Canonical SMILES |
Clc1cnn(Cc2nnc(o2)-c2ccccc2Br)c(=O)c1Cl
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| InChI |
InChI=1S/C13H7BrCl2N4O2/c14-8-4-2-1-3-7(8)12-19-18-10(22-12)6-20-13(21)11(16)9(15)5-17-20/h1-5H,6H2
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| InChIKey |
JZBXRUCPXQISGH-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