General Information of the Compound
| Compound ID |
CP0410565
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| Compound Name |
2-[[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]triazol-4-yl]methoxy]-N-(3,4-dimethoxyphenyl)benzamide
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| Structure |
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| Formula |
C31H35N5O6
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| Molecular Weight |
573.65
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccccc2OCc2cn(CCN3CCc4cc(OC)c(OC)cc4C3)nn2)cc1OC
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| InChI |
InChI=1S/C31H35N5O6/c1-38-27-10-9-23(17-30(27)41-4)32-31(37)25-7-5-6-8-26(25)42-20-24-19-36(34-33-24)14-13-35-12-11-21-15-28(39-2)29(40-3)16-22(21)18-35/h5-10,15-17,19H,11-14,18,20H2,1-4H3,(H,32,37)
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| InChIKey |
LLOQCTYTKLFIKI-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