General Information of the Compound
| Compound ID |
CP0458032
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| Compound Name |
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-phenacylimidazo[4,5-d]pyridazin-4-one
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| Structure |
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| Formula |
C22H24N6O2
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| Molecular Weight |
404.474
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| Canonical SMILES |
CC#CCn1c(nc2cnn(CC(=O)c3ccccc3)c(=O)c12)N1CCCC(N)C1
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| InChI |
InChI=1S/C22H24N6O2/c1-2-3-12-27-20-18(25-22(27)26-11-7-10-17(23)14-26)13-24-28(21(20)30)15-19(29)16-8-5-4-6-9-16/h4-6,8-9,13,17H,7,10-12,14-15,23H2,1H3
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| InChIKey |
WUQZEVWHZRAQLY-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