General Information of the Compound
| Compound ID |
CP0250707
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| Compound Name |
7-{2-chloro-5-methylimidazo[1,5-a]pyridazin-7-yl}-1-phenylheptan-2-one
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| Structure |
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| Formula |
C20H22ClN3O
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| Molecular Weight |
355.869
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| Canonical SMILES |
Cc1nc(CCCCCC(=O)Cc2ccccc2)n2nc(Cl)ccc12
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| InChI |
InChI=1S/C20H22ClN3O/c1-15-18-12-13-19(21)23-24(18)20(22-15)11-7-3-6-10-17(25)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13H,3,6-7,10-11,14H2,1H3
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| InChIKey |
YHOPWILJLKVXHS-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
Protein ID: PT00005, Reverse transcriptase/RNaseH
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000247 | MT-4 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 28000 nM
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