General Information of the Compound
| Compound ID |
CP0546623
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| Compound Name |
2-(6-Methoxy-4-((3-(2-methoxypyrimidin-5-yl)benzyl)oxy)benzofuran-2-yl)-6-methylimidazo[1,2-b]pyridazine
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| Structure |
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| Formula |
C28H23N5O4
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| Molecular Weight |
493.523
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| Canonical SMILES |
COc1cc(OCc2cccc(c2)-c2cnc(OC)nc2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C28H23N5O4/c1-17-7-8-27-31-23(15-33(27)32-17)26-12-22-24(10-21(34-2)11-25(22)37-26)36-16-18-5-4-6-19(9-18)20-13-29-28(35-3)30-14-20/h4-15H,16H2,1-3H3
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| InChIKey |
XUJYIGYGVFXHSI-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