General Information of the Compound
| Compound ID |
CP0411705
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| Compound Name |
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-methoxyphenyl)-2H-chromen-3-yl]ethanone
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| Structure |
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| Formula |
C29H29NO5
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| Molecular Weight |
471.553
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc2OCC(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)=Cc2c1
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| InChI |
InChI=1S/C29H29NO5/c1-32-25-7-4-20(5-8-25)21-6-9-26-23(14-21)12-19(18-35-26)13-29(31)30-11-10-22-15-27(33-2)28(34-3)16-24(22)17-30/h4-9,12,14-16H,10-11,13,17-18H2,1-3H3
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| InChIKey |
GQPZYXWVDBTRKO-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