General Information of the Compound
| Compound ID |
CP0411706
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| Compound Name |
6,7-dimethoxy-2-[2-[2-(3-methoxyphenyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C26H29NO3
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| Molecular Weight |
403.522
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| Canonical SMILES |
COc1cccc(c1)-c1ccccc1CCN1CCc2cc(OC)c(OC)cc2C1
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| InChI |
InChI=1S/C26H29NO3/c1-28-23-9-6-8-21(15-23)24-10-5-4-7-19(24)11-13-27-14-12-20-16-25(29-2)26(30-3)17-22(20)18-27/h4-10,15-17H,11-14,18H2,1-3H3
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| InChIKey |
PTJBFESVNARXKM-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