General Information of the Compound
| Compound ID |
CP0476155
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| Compound Name |
7-[5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentoxy]-3-phenylchromen-2-one
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| Structure |
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| Formula |
C31H33NO5
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| Molecular Weight |
499.607
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| Canonical SMILES |
COc1cc2CCN(CCCCCOc3ccc4cc(-c5ccccc5)c(=O)oc4c3)Cc2cc1OC
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| InChI |
InChI=1S/C31H33NO5/c1-34-29-18-23-13-15-32(21-25(23)19-30(29)35-2)14-7-4-8-16-36-26-12-11-24-17-27(22-9-5-3-6-10-22)31(33)37-28(24)20-26/h3,5-6,9-12,17-20H,4,7-8,13-16,21H2,1-2H3
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| InChIKey |
ATJXBTDVXJXQOE-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02516, Multidrug resistance-associated protein 1