General Information of the Compound
| Compound ID |
CP0374100
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| Compound Name |
5-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-(6,7-dimethoxy-3,4-dihydroisoquinoline)
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| Structure |
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| Formula |
C31H39NO4
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| Molecular Weight |
489.656
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCCCN2CCc3cc(OC)c(OC)cc3C2)c1
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| InChI |
InChI=1S/C31H39NO4/c1-33-28-12-9-10-24(20-28)14-15-25-11-5-6-13-29(25)36-19-8-4-7-17-32-18-16-26-21-30(34-2)31(35-3)22-27(26)23-32/h5-6,9-13,20-22H,4,7-8,14-19,23H2,1-3H3
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| InChIKey |
UZHJKQAEGCHEJR-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