General Information of the Compound
| Compound ID |
CP0465907
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| Compound Name |
7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one
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| Structure |
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| Formula |
C22H23NO3
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| Molecular Weight |
349.43
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| Canonical SMILES |
Cc1c(C)c(=O)oc2cc(OCCN3CCc4ccccc4C3)ccc12
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| InChI |
InChI=1S/C22H23NO3/c1-15-16(2)22(24)26-21-13-19(7-8-20(15)21)25-12-11-23-10-9-17-5-3-4-6-18(17)14-23/h3-8,13H,9-12,14H2,1-2H3
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| InChIKey |
HQTNGNNCVJXQRC-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