General Information of the Compound
| Compound ID |
CP0304560
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| Compound Name |
4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethoxy-phenyl)-benzamide
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| Structure |
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| Formula |
C25H26N2O2
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| Molecular Weight |
386.495
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| Canonical SMILES |
CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
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| InChI |
InChI=1S/C25H26N2O2/c1-2-29-24-13-11-23(12-14-24)26-25(28)21-9-7-19(8-10-21)17-27-16-15-20-5-3-4-6-22(20)18-27/h3-14H,2,15-18H2,1H3,(H,26,28)
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| InChIKey |
BRYSGTDRSIOCPS-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
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2