General Information of the Compound
| Compound ID |
CP0478387
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| Compound Name |
N-(4-butylphenyl)-2-[[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]triazol-4-yl]methoxy]benzamide
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| Structure |
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| Formula |
C33H39N5O4
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| Molecular Weight |
569.706
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| Canonical SMILES |
CCCCc1ccc(NC(=O)c2ccccc2OCc2cn(CCN3CCc4cc(OC)c(OC)cc4C3)nn2)cc1
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| InChI |
InChI=1S/C33H39N5O4/c1-4-5-8-24-11-13-27(14-12-24)34-33(39)29-9-6-7-10-30(29)42-23-28-22-38(36-35-28)18-17-37-16-15-25-19-31(40-2)32(41-3)20-26(25)21-37/h6-7,9-14,19-20,22H,4-5,8,15-18,21,23H2,1-3H3,(H,34,39)
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| InChIKey |
FTZADRGBFCIRLX-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