General Information of the Compound
| Compound ID |
CP0464983
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| Compound Name |
6,7-dimethoxy-2-[[5-(6-methoxynaphthalen-2-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C27H27NO4
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| Molecular Weight |
429.516
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)o1
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| InChI |
InChI=1S/C27H27NO4/c1-29-23-7-6-18-12-21(5-4-19(18)13-23)25-9-8-24(32-25)17-28-11-10-20-14-26(30-2)27(31-3)15-22(20)16-28/h4-9,12-15H,10-11,16-17H2,1-3H3
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| InChIKey |
CHJDXQQRPSUBNV-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