General Information of the Compound
| Compound ID |
CP0451089
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-6-fluoro-4-oxochromene-2-carboxamide
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| Formula |
C29H27FN2O5
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| Molecular Weight |
502.542
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)c4cc(=O)c5cc(F)ccc5o4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C29H27FN2O5/c1-35-26-13-19-10-12-32(17-20(19)14-27(26)36-2)11-9-18-3-6-22(7-4-18)31-29(34)28-16-24(33)23-15-21(30)5-8-25(23)37-28/h3-8,13-16H,9-12,17H2,1-2H3,(H,31,34)
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| InChIKey |
DJMDKZXLYZUKJL-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