General Information of the Compound
| Compound ID |
CP0530712
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| Compound Name |
7-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]methoxy]-3,4-dimethylchromen-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(CCc3ccc(COc4ccc5c(C)c(C)c(=O)oc5c4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C31H33NO5/c1-20-21(2)31(33)37-28-17-26(9-10-27(20)28)36-19-23-7-5-22(6-8-23)11-13-32-14-12-24-15-29(34-3)30(35-4)16-25(24)18-32/h5-10,15-17H,11-14,18-19H2,1-4H3
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| InChIKey |
BGWAMHCZOJDHAY-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