General Information of the Compound
| Compound ID |
CP0415667
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| Compound Name |
N-[3-[2-[6-methoxy-7-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]phenyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C31H31N3O5
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| Molecular Weight |
525.605
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| Canonical SMILES |
COCCOc1cc2CN(CC(=O)c3cccc(NC(=O)c4ccc5ccccc5n4)c3)CCc2cc1OC
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| InChI |
InChI=1S/C31H31N3O5/c1-37-14-15-39-30-18-24-19-34(13-12-22(24)17-29(30)38-2)20-28(35)23-7-5-8-25(16-23)32-31(36)27-11-10-21-6-3-4-9-26(21)33-27/h3-11,16-18H,12-15,19-20H2,1-2H3,(H,32,36)
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| InChIKey |
NTDVCEBHKUVUKW-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