General Information of the Compound
| Compound ID |
CP0552338
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| Compound Name |
2-(1,3-benzodioxol-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 |
C23H22N6O2
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| Molecular Weight |
414.469
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C23H22N6O2/c1-27-10-12-28(13-11-27)21-5-4-20-25-22(17-2-3-18-19(14-17)31-15-30-18)23(29(20)26-21)16-6-8-24-9-7-16/h2-9,14H,10-13,15H2,1H3
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| InChIKey |
YIIPWHGYGYYCFZ-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