General Information of the Compound
| Compound ID |
CP0440480
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| Compound Name |
7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-3,4-dimethylchromen-2-one
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| Structure |
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| Formula |
C24H27NO3
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| Molecular Weight |
377.484
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| Canonical SMILES |
Cc1c(C)c(=O)oc2cc(OCCCCN3CCc4ccccc4C3)ccc12
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| InChI |
InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-15-21(9-10-22(17)23)27-14-6-5-12-25-13-11-19-7-3-4-8-20(19)16-25/h3-4,7-10,15H,5-6,11-14,16H2,1-2H3
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| InChIKey |
FIZCTLFFIOOEEU-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