General Information of the Compound
| Compound ID |
CP0504965
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| Compound Name |
2-((2-(furan-2-yl)-7-methoxybenzofuran-4-yl)methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
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| Structure |
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| Formula |
C25H25NO5
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| Molecular Weight |
419.477
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccco3)Cc2cc1OC
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| InChI |
InChI=1S/C25H25NO5/c1-27-21-7-6-17(19-13-24(31-25(19)21)20-5-4-10-30-20)14-26-9-8-16-11-22(28-2)23(29-3)12-18(16)15-26/h4-7,10-13H,8-9,14-15H2,1-3H3
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| InChIKey |
JXCCNCOVOMQXNP-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