General Information of the Compound
| Compound ID |
CP0411702
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| Compound Name |
6,7-dimethoxy-2-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C25H33NO3
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| Molecular Weight |
395.543
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| Canonical SMILES |
COc1cc2CCN(CCCC3CCCc4c(OC)cccc34)Cc2cc1OC
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| InChI |
InChI=1S/C25H33NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,9,11,15-16,18H,4,6-8,10,12-14,17H2,1-3H3
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| InChIKey |
HHPVCRYYLOFYGE-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