General Information of the Compound
| Compound ID |
CP0113395
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| Compound Name |
7-(5-Methylimidazo[1,5-b]pyridazin-7-yl)-l-phenyl-l-heptanone Hydrochloride
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| Structure |
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| Formula |
C20H23N3O
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| Molecular Weight |
321.424
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| Canonical SMILES |
Cc1nc(CCCCCCC(=O)c2ccccc2)n2ncccc12
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| InChI |
InChI=1S/C20H23N3O/c1-16-18-12-9-15-21-23(18)20(22-16)14-8-3-2-7-13-19(24)17-10-5-4-6-11-17/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3
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| InChIKey |
UYVZAULSXBXGKE-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