General Information of the Compound
| Compound ID |
CP0763949
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| Compound Name |
7-(5-Methyl-2-methylsulfanyl-imidazo[1,5-b]pyridazin-7-yl)-1-phenyl-heptan-1-one hydrochloride
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| Structure |
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| Formula |
C21H26ClN3OS
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| Molecular Weight |
403.979
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| Canonical SMILES |
CSc1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1.Cl
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| InChI |
InChI=1S/C21H25N3OS.ClH/c1-16-18-14-15-21(26-2)23-24(18)20(22-16)13-9-4-3-8-12-19(25)17-10-6-5-7-11-17;/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3;1H
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| InChIKey |
BOJJBWCFLJUHLM-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