General Information of the Compound
| Compound ID |
CP0666462
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| Compound Name |
2-({[1-(Pyridazin-4-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline
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| Structure |
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| Formula |
C21H15N5O
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| Molecular Weight |
353.385
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| Canonical SMILES |
c1ccc2nc(COc3ccc4ncn(-c5ccnnc5)c4c3)ccc2c1
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| InChI |
InChI=1S/C21H15N5O/c1-2-4-19-15(3-1)5-6-16(25-19)13-27-18-7-8-20-21(11-18)26(14-22-20)17-9-10-23-24-12-17/h1-12,14H,13H2
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| InChIKey |
DXVIMNDZUYLYJT-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