General Information of the Compound
| Compound ID |
CP0411703
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| Compound Name |
6,7-dimethoxy-2-[2-[6-(4-methoxyphenyl)-2H-chromen-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C29H31NO4
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| Molecular Weight |
457.57
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc2OCC(CCN3CCc4cc(OC)c(OC)cc4C3)=Cc2c1
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| InChI |
InChI=1S/C29H31NO4/c1-31-26-7-4-21(5-8-26)22-6-9-27-24(15-22)14-20(19-34-27)10-12-30-13-11-23-16-28(32-2)29(33-3)17-25(23)18-30/h4-9,14-17H,10-13,18-19H2,1-3H3
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| InChIKey |
OEPQYKYEXGZHCE-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