General Information of the Compound
| Compound ID |
CP0371789
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| Compound Name |
6,7-dimethoxy-2-((7-methoxy-2-(3-methoxyphenyl)benzofuran-4-yl)methyl)-1,2,3,4-tetrahydroisoquinoline
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| Structure |
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| Formula |
C28H29NO5
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| Molecular Weight |
459.542
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| Canonical SMILES |
COc1cccc(c1)-c1cc2c(CN3CCc4cc(OC)c(OC)cc4C3)ccc(OC)c2o1
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| InChI |
InChI=1S/C28H29NO5/c1-30-22-7-5-6-19(12-22)25-15-23-20(8-9-24(31-2)28(23)34-25)16-29-11-10-18-13-26(32-3)27(33-4)14-21(18)17-29/h5-9,12-15H,10-11,16-17H2,1-4H3
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| InChIKey |
HIASAPHKGILEIV-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
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor