General Information of the Compound
| Compound ID |
CP0554974
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| Compound Name |
3-chloro-7-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-4-methylchromen-2-one
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| Structure |
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| Formula |
C25H28ClNO5
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| Molecular Weight |
457.954
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| Canonical SMILES |
COc1cc2CCN(CCCCOc3ccc4c(C)c(Cl)c(=O)oc4c3)Cc2cc1OC
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| InChI |
InChI=1S/C25H28ClNO5/c1-16-20-7-6-19(14-21(20)32-25(28)24(16)26)31-11-5-4-9-27-10-8-17-12-22(29-2)23(30-3)13-18(17)15-27/h6-7,12-14H,4-5,8-11,15H2,1-3H3
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| InChIKey |
LGEZUHPVGBOBKA-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