General Information of the Compound
| Compound ID |
CP0479692
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| Compound Name |
1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C22H27N5O3
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| Molecular Weight |
409.49
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C22H27N5O3/c1-14-12-18(26-10-8-25(9-11-26)16(3)28)22-23-15(2)21(27(22)24-14)17-6-7-19(29-4)20(13-17)30-5/h6-7,12-13H,8-11H2,1-5H3
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| InChIKey |
KJRSWBZCBZFLMV-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