General Information of the Compound
| Compound ID |
CP0565434
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| Compound Name |
N-[5-[1-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]triazol-4-yl]-2-propanoylphenyl]-1-benzofuran-2-carboxamide
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| Formula |
C39H37N5O5
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| Molecular Weight |
655.755
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| Canonical SMILES |
CCC(=O)c1ccc(cc1NC(=O)c1cc2ccccc2o1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C39H37N5O5/c1-4-34(45)31-14-11-27(19-32(31)40-39(46)38-21-28-7-5-6-8-35(28)49-38)33-24-44(42-41-33)30-12-9-25(10-13-30)15-17-43-18-16-26-20-36(47-2)37(48-3)22-29(26)23-43/h5-14,19-22,24H,4,15-18,23H2,1-3H3,(H,40,46)
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| InChIKey |
QSMRLVJZUSQLSC-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