General Information of the Compound
| Compound ID |
CP0498160
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| Compound Name |
6,7-dimethoxy-2-[3-[4-(4-methoxyphenyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C27H31NO4
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| Molecular Weight |
433.548
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(OCCCN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C27H31NO4/c1-29-24-9-5-20(6-10-24)21-7-11-25(12-8-21)32-16-4-14-28-15-13-22-17-26(30-2)27(31-3)18-23(22)19-28/h5-12,17-18H,4,13-16,19H2,1-3H3
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| InChIKey |
TVEJWPKOIQUYKT-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