General Information of the Compound
| Compound ID |
CP0572772
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| Compound Name |
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]methanone
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| Formula |
C25H27NO7
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| Molecular Weight |
453.491
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(o1)-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C25H27NO7/c1-28-20-10-15-8-9-26(14-17(15)13-21(20)29-2)25(27)19-7-6-18(33-19)16-11-22(30-3)24(32-5)23(12-16)31-4/h6-7,10-13H,8-9,14H2,1-5H3
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| InChIKey |
LQWOBUQEPKZRKQ-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