General Information of the Compound
| Compound ID |
CP0513679
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| Compound Name |
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-7-methyl-5-[(3-methylisoquinolin-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one
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| Structure |
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| Formula |
C26H29N7O
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| Molecular Weight |
455.566
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| Canonical SMILES |
CC#CCn1c(nc2c(C)nn(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCCC(N)C1
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| InChI |
InChI=1S/C26H29N7O/c1-4-5-13-32-24-23(29-26(32)31-12-8-10-20(27)15-31)18(3)30-33(25(24)34)16-22-21-11-7-6-9-19(21)14-17(2)28-22/h6-7,9,11,14,20H,8,10,12-13,15-16,27H2,1-3H3
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| InChIKey |
RWDXFOLMCJDTJZ-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