General Information of the Compound
| Compound ID |
CP0044454
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| Compound Name |
7-[5-methyl-2-(methylamino)imidazo[1,5-a]pyridazin-7-yl]-1-phenylheptan-1-one
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| Structure |
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| Formula |
C21H26N4O
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| Molecular Weight |
350.466
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| Canonical SMILES |
CNc1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1
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| InChI |
InChI=1S/C21H26N4O/c1-16-18-14-15-20(22-2)24-25(18)21(23-16)13-9-4-3-8-12-19(26)17-10-6-5-7-11-17/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3,(H,22,24)
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| InChIKey |
NJPTXYROWWZSGQ-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 = 25000 nM
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