General Information of the Compound
| Compound ID |
CP0441137
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| Compound Name |
2-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-(6,7-dimethoxy-3,4-dihydroisoquinoline)
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| Structure |
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| Formula |
C28H33NO4
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| Molecular Weight |
447.575
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCN2CCc3cc(OC)c(OC)cc3C2)c1
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| InChI |
InChI=1S/C28H33NO4/c1-30-25-9-6-7-21(17-25)11-12-22-8-4-5-10-26(22)33-16-15-29-14-13-23-18-27(31-2)28(32-3)19-24(23)20-29/h4-10,17-19H,11-16,20H2,1-3H3
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| InChIKey |
FOYIKIOMXHXEQA-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