General Information of the Compound
| Compound ID |
CP0371790
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| Compound Name |
3-(4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-7-methoxybenzofuran-2-yl)-N-(2-(dimethylamino)ethyl)benzamide
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| Structure |
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| Formula |
C32H37N3O5
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| Molecular Weight |
543.664
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3cccc(c3)C(=O)NCCN(C)C)Cc2cc1OC
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| InChI |
InChI=1S/C32H37N3O5/c1-34(2)14-12-33-32(36)23-8-6-7-22(15-23)28-18-26-24(9-10-27(37-3)31(26)40-28)19-35-13-11-21-16-29(38-4)30(39-5)17-25(21)20-35/h6-10,15-18H,11-14,19-20H2,1-5H3,(H,33,36)
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| InChIKey |
MGJOAQODMQCCGV-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