General Information of the Compound
| Compound ID |
CP0371793
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| Compound Name |
N-(2-amino-2-methylpropyl)-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxy-1-benzofuran-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)NCC(C)(C)N)Cc2cc1OC
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| InChI |
InChI=1S/C26H33N3O5/c1-26(2,27)15-28-25(30)23-12-19-17(6-7-20(31-3)24(19)34-23)13-29-9-8-16-10-21(32-4)22(33-5)11-18(16)14-29/h6-7,10-12H,8-9,13-15,27H2,1-5H3,(H,28,30)
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| InChIKey |
JYEPTVGXWUQMKF-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