General Information of the Compound
| Compound ID |
CP0465910
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| Compound Name |
7-[(E)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoxy]-3,4-dimethylchromen-2-one
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| Structure |
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| Formula |
C26H29NO5
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| Molecular Weight |
435.52
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| Canonical SMILES |
COc1cc2CCN(C\C=C\COc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC
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| InChI |
InChI=1S/C26H29NO5/c1-17-18(2)26(28)32-23-15-21(7-8-22(17)23)31-12-6-5-10-27-11-9-19-13-24(29-3)25(30-4)14-20(19)16-27/h5-8,13-15H,9-12,16H2,1-4H3/b6-5+
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| InChIKey |
ANDDRXHQHKELJW-AATRIKPKSA-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