General Information of the Compound
| Compound ID |
CP0451522
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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-methoxyphenyl)benzamide
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| Structure |
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| Formula |
C30H33N5O5
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| Molecular Weight |
543.624
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| Canonical SMILES |
COc1cccc(NC(=O)c2ccccc2OCc2cn(CCN3CCc4cc(OC)c(OC)cc4C3)nn2)c1
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| InChI |
InChI=1S/C30H33N5O5/c1-37-25-8-6-7-23(17-25)31-30(36)26-9-4-5-10-27(26)40-20-24-19-35(33-32-24)14-13-34-12-11-21-15-28(38-2)29(39-3)16-22(21)18-34/h4-10,15-17,19H,11-14,18,20H2,1-3H3,(H,31,36)
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| InChIKey |
GQQAPGUMHVTVGJ-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