General Information of the Compound
| Compound ID |
CP0526689
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| Compound Name |
6-Azepan-1-ylmethyl-2-[4-(4-methoxy-phenyl)-butyl]-1,2,3,4-tetrahydro-isoquinolin-5-ol
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| Structure |
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| Formula |
C27H38N2O2
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| Molecular Weight |
422.613
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| Canonical SMILES |
COc1ccc(CCCCN2CCc3c(C2)ccc(CN2CCCCCC2)c3O)cc1
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| InChI |
InChI=1S/C27H38N2O2/c1-31-25-13-9-22(10-14-25)8-4-7-18-29-19-15-26-23(20-29)11-12-24(27(26)30)21-28-16-5-2-3-6-17-28/h9-14,30H,2-8,15-21H2,1H3
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| InChIKey |
VVUAYXCELXXUIK-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