General Information of the Compound
| Compound ID |
CP0434061
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| Compound Name |
4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-7-methoxy-N-(quinuclidin-3-yl)benzofuran-2-carboxamide
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| Structure |
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| Formula |
C29H35N3O5
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| Molecular Weight |
505.615
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NC3CN4CCC3CC4)Cc2cc1OC
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| InChI |
InChI=1S/C29H35N3O5/c1-34-24-5-4-20(15-32-11-8-19-12-25(35-2)26(36-3)13-21(19)16-32)22-14-27(37-28(22)24)29(33)30-23-17-31-9-6-18(23)7-10-31/h4-5,12-14,18,23H,6-11,15-17H2,1-3H3,(H,30,33)
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| InChIKey |
RKQFKAILJGXGRP-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