General Information of the Compound
| Compound ID |
CP0306561
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| Compound Name |
( 1RS)-2-Chloro-5-methyl-alpha-phenyl-7-imidazo[1,5-b]pyridazineheptanol Hydrochloride
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| Structure |
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| Formula |
C20H24ClN3O
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| Molecular Weight |
357.885
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| Canonical SMILES |
Cc1nc(CCCCCCC(O)c2ccccc2)n2nc(Cl)ccc12
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| InChI |
InChI=1S/C20H24ClN3O/c1-15-17-13-14-19(21)23-24(17)20(22-15)12-8-3-2-7-11-18(25)16-9-5-4-6-10-16/h4-6,9-10,13-14,18,25H,2-3,7-8,11-12H2,1H3
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| InChIKey |
GLBSNDUVYMWILA-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 = 250000 nM
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