General Information of the Compound
| Compound ID |
CP0101091
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| Compound Name |
4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
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| Structure |
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| Formula |
C22H14N6
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| Molecular Weight |
362.396
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| Canonical SMILES |
N#Cc1ccc(cc1)-c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
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| InChI |
InChI=1S/C22H14N6/c23-14-15-3-6-17(7-4-15)20-9-10-21-25-26-22(28(21)27-20)13-16-5-8-19-18(12-16)2-1-11-24-19/h1-12H,13H2
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| InChIKey |
XTCOLZQEGQSACV-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