General Information of the Compound
| Compound ID |
CP0371748
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| Compound Name |
4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-N-(2-(dimethylamino)ethyl)-7-methoxybenzofuran-2-carboxamide
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| Structure |
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| Formula |
C26H33N3O5
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| Molecular Weight |
467.566
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCCN(C)C)Cc2cc1OC
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| InChI |
InChI=1S/C26H33N3O5/c1-28(2)11-9-27-26(30)24-14-20-18(6-7-21(31-3)25(20)34-24)15-29-10-8-17-12-22(32-4)23(33-5)13-19(17)16-29/h6-7,12-14H,8-11,15-16H2,1-5H3,(H,27,30)
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| InChIKey |
IWHCCXKZMXALTR-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