General Information of the Compound
| Compound ID |
CP0517279
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| Compound Name |
4-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzoyl]amino]benzoic acid ethyl ester
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| Structure |
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| Formula |
C27H28N2O3
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| Molecular Weight |
428.532
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1
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| InChI |
InChI=1S/C27H28N2O3/c1-2-32-27(31)23-11-13-25(14-12-23)28-26(30)22-9-7-20(8-10-22)15-17-29-18-16-21-5-3-4-6-24(21)19-29/h3-14H,2,15-19H2,1H3,(H,28,30)
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| InChIKey |
AVXQTBRECTZDJT-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