General Information of the Compound
| Compound ID |
CP0402761
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| Compound Name |
N-[3-[(E)-3-[4-[2-[6-methoxy-7-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]phenyl]prop-2-enoyl]phenyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C40H39N3O6
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| Molecular Weight |
657.767
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| Canonical SMILES |
COCCOc1cc2CN(CCOc3ccc(\C=C\C(=O)c4cccc(NC(=O)c5ccc6ccccc6n5)c4)cc3)CCc2cc1OC
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| InChI |
InChI=1S/C40H39N3O6/c1-46-22-23-49-39-26-32-27-43(19-18-30(32)25-38(39)47-2)20-21-48-34-14-10-28(11-15-34)12-17-37(44)31-7-5-8-33(24-31)41-40(45)36-16-13-29-6-3-4-9-35(29)42-36/h3-17,24-26H,18-23,27H2,1-2H3,(H,41,45)/b17-12+
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| InChIKey |
GGPJWARLTFUFTL-SFQUDFHCSA-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