General Information of the Compound
| Compound ID |
CP0444570
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-7-methyl-4-oxochromene-2-carboxamide
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| Formula |
C30H30N2O5
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| Molecular Weight |
498.579
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)c4cc(=O)c5ccc(C)cc5o4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C30H30N2O5/c1-19-4-9-24-25(33)17-29(37-26(24)14-19)30(34)31-23-7-5-20(6-8-23)10-12-32-13-11-21-15-27(35-2)28(36-3)16-22(21)18-32/h4-9,14-17H,10-13,18H2,1-3H3,(H,31,34)
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| InChIKey |
LXGQREDRQUZZKL-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