General Information of the Compound
| Compound ID |
CP0221950
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| Compound Name |
7-[5-methyl-2-(4H-1,2,4-triazol-4-yl)imidazo[1,5-a]pyridazin-7-yl]-1-phenylheptan-1-one
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| Structure |
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| Formula |
C22H24N6O
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| Molecular Weight |
388.475
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| Canonical SMILES |
Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(ccc12)-n1cnnc1
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| InChI |
InChI=1S/C22H24N6O/c1-17-19-13-14-22(27-15-23-24-16-27)26-28(19)21(25-17)12-8-3-2-7-11-20(29)18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3
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| InChIKey |
ZPNNFNAVPNXDGD-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