General Information of the Compound
| Compound ID |
CP0440479
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| Compound Name |
7-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-3-phenylchromen-2-one
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| Structure |
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| Formula |
C30H31NO5
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| Molecular Weight |
485.58
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| Canonical SMILES |
COc1cc2CCN(CCCCOc3ccc4cc(-c5ccccc5)c(=O)oc4c3)Cc2cc1OC
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| InChI |
InChI=1S/C30H31NO5/c1-33-28-17-22-12-14-31(20-24(22)18-29(28)34-2)13-6-7-15-35-25-11-10-23-16-26(21-8-4-3-5-9-21)30(32)36-27(23)19-25/h3-5,8-11,16-19H,6-7,12-15,20H2,1-2H3
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| InChIKey |
GOCUBCJXKMNDTJ-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