General Information of the Compound
| Compound ID |
CP0402824
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| Compound Name |
2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
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| Structure |
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| Formula |
C24H24N6O2
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| Molecular Weight |
428.496
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1cccc2OCCOc12
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| InChI |
InChI=1S/C24H24N6O2/c1-28-11-13-29(14-12-28)21-6-5-20-26-22(18-3-2-4-19-24(18)32-16-15-31-19)23(30(20)27-21)17-7-9-25-10-8-17/h2-10H,11-16H2,1H3
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| InChIKey |
KWLALUJSWZSEHQ-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