General Information of the Compound
| Compound ID |
CP0521003
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylacetamide
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| Structure |
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| Formula |
C40H44N4O4
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| Molecular Weight |
644.816
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)C(N4CCOCC4)c4c(-c5ccccc5)n(C)c5ccccc45)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C40H44N4O4/c1-42-34-12-8-7-11-33(34)37(38(42)29-9-5-4-6-10-29)39(44-21-23-48-24-22-44)40(45)41-32-15-13-28(14-16-32)17-19-43-20-18-30-25-35(46-2)36(47-3)26-31(30)27-43/h4-16,25-26,39H,17-24,27H2,1-3H3,(H,41,45)
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| InChIKey |
DYHAIEYEVQJLIV-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