General Information of the Compound
| Compound ID |
CP0388484
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| Compound Name |
5-(4-Phenoxybutoxy)isoquinoline
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| Structure |
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| Formula |
C19H19NO2
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| Molecular Weight |
293.366
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| Canonical SMILES |
C(CCOc1cccc2cnccc12)COc1ccccc1
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| InChI |
InChI=1S/C19H19NO2/c1-2-8-17(9-3-1)21-13-4-5-14-22-19-10-6-7-16-15-20-12-11-18(16)19/h1-3,6-12,15H,4-5,13-14H2
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| InChIKey |
BLKDUHVXYHSFKD-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