General Information of the Compound
| Compound ID |
CP0533847
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| Compound Name |
[5-(1,3-benzodioxol-5-yl)furan-2-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
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| Formula |
C23H21NO6
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| Molecular Weight |
407.422
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(o1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C23H21NO6/c1-26-20-9-14-7-8-24(12-16(14)11-21(20)27-2)23(25)19-6-5-17(30-19)15-3-4-18-22(10-15)29-13-28-18/h3-6,9-11H,7-8,12-13H2,1-2H3
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| InChIKey |
PFJROLGBKYJNPU-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