General Information of the Compound
| Compound ID |
CP0371963
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| Compound Name |
2-[3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C26H35NO4
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| Molecular Weight |
425.569
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| Canonical SMILES |
COc1cc2CCN(CCCC3CCCc4cc(OC)c(OC)cc34)Cc2cc1OC
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| InChI |
InChI=1S/C26H35NO4/c1-28-23-13-19-10-12-27(17-21(19)15-25(23)30-3)11-6-9-18-7-5-8-20-14-24(29-2)26(31-4)16-22(18)20/h13-16,18H,5-12,17H2,1-4H3
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| InChIKey |
ILEQWDOJJVJXBN-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