General Information of the Compound
| Compound ID |
CP0475330
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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-(3,4,5-trimethoxyphenyl)benzamide
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| Structure |
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| Formula |
C32H37N5O7
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| Molecular Weight |
603.676
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| Canonical SMILES |
COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4cc(OC)c(OC)c(OC)c4)nn3)Cc2cc1OC
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| InChI |
InChI=1S/C32H37N5O7/c1-39-27-14-21-10-11-36(18-22(21)15-28(27)40-2)12-13-37-19-24(34-35-37)20-44-26-9-7-6-8-25(26)32(38)33-23-16-29(41-3)31(43-5)30(17-23)42-4/h6-9,14-17,19H,10-13,18,20H2,1-5H3,(H,33,38)
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| InChIKey |
QBQSIAMCKADTSL-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