General Information of the Compound
| Compound ID |
CP0530713
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| Compound Name |
7-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dimethylchromen-2-one
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| Structure |
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| Formula |
C25H29NO5
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| Molecular Weight |
423.509
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| Canonical SMILES |
COc1cc2CCN(CCCOc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC
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| InChI |
InChI=1S/C25H29NO5/c1-16-17(2)25(27)31-22-14-20(6-7-21(16)22)30-11-5-9-26-10-8-18-12-23(28-3)24(29-4)13-19(18)15-26/h6-7,12-14H,5,8-11,15H2,1-4H3
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| InChIKey |
GWSRBMJZRDYLBB-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