General Information of the Compound
| Compound ID |
CP0490350
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| Compound Name |
N-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]triazol-4-yl]-2-propanoylphenyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C46H50N6O7
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| Molecular Weight |
798.941
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| Canonical SMILES |
CCC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OCCOCCOCCOC)cc3C2)cc1
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| InChI |
InChI=1S/C46H50N6O7/c1-4-43(53)38-15-11-35(27-41(38)48-46(54)40-16-12-33-7-5-6-8-39(33)47-40)42-31-52(50-49-42)37-13-9-32(10-14-37)17-19-51-20-18-34-28-44(56-3)45(29-36(34)30-51)59-26-25-58-24-23-57-22-21-55-2/h5-16,27-29,31H,4,17-26,30H2,1-3H3,(H,48,54)
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| InChIKey |
CHAZSVOPUAINSR-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