General Information of the Compound
| Compound ID |
CP0398469
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| Compound Name |
6,7-dimethoxy-2-[4-[4-(4-methoxyphenyl)phenoxy]butyl]-3,4-dihydro-1H-isoquinoline
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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 |
COc1ccc(cc1)-c1ccc(OCCCCN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C28H33NO4/c1-30-25-10-6-21(7-11-25)22-8-12-26(13-9-22)33-17-5-4-15-29-16-14-23-18-27(31-2)28(32-3)19-24(23)20-29/h6-13,18-19H,4-5,14-17,20H2,1-3H3
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| InChIKey |
XBNULHYELFGYPS-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