General Information of the Compound
| Compound ID |
CP0410564
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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-phenylbenzamide
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| Structure |
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| Formula |
C29H31N5O4
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| Molecular Weight |
513.598
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| Canonical SMILES |
COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccccc4)nn3)Cc2cc1OC
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| InChI |
InChI=1S/C29H31N5O4/c1-36-27-16-21-12-13-33(18-22(21)17-28(27)37-2)14-15-34-19-24(31-32-34)20-38-26-11-7-6-10-25(26)29(35)30-23-8-4-3-5-9-23/h3-11,16-17,19H,12-15,18,20H2,1-2H3,(H,30,35)
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| InChIKey |
ZZVOBIJROAWIHZ-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