General Information of the Compound
| Compound ID |
CP0524407
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
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| Structure |
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| Formula |
C32H34N2O6
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| Molecular Weight |
542.632
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| Canonical SMILES |
COc1ccc2c(C)c(CC(=O)Nc3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)c(=O)oc2c1
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| InChI |
InChI=1S/C32H34N2O6/c1-20-26-10-9-25(37-2)17-28(26)40-32(36)27(20)18-31(35)33-24-7-5-21(6-8-24)11-13-34-14-12-22-15-29(38-3)30(39-4)16-23(22)19-34/h5-10,15-17H,11-14,18-19H2,1-4H3,(H,33,35)
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| InChIKey |
BBXYUCIYJIJLCB-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