General Information of the Compound
| Compound ID |
CP0421871
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| Compound Name |
7-[5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentoxy]-3,4-dimethylchromen-2-one
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| Structure |
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| Formula |
C27H33NO5
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| Molecular Weight |
451.563
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| Canonical SMILES |
COc1cc2CCN(CCCCCOc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC
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| InChI |
InChI=1S/C27H33NO5/c1-18-19(2)27(29)33-24-16-22(8-9-23(18)24)32-13-7-5-6-11-28-12-10-20-14-25(30-3)26(31-4)15-21(20)17-28/h8-9,14-16H,5-7,10-13,17H2,1-4H3
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| InChIKey |
KKHBQYDECRQPOM-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