General Information of the Compound
| Compound ID |
CP0500849
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| Compound Name |
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(6-methoxy-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride
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| Structure |
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| Formula |
C20H24ClNO5
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| Molecular Weight |
393.867
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| Canonical SMILES |
Cl.COc1ccc2CCOc2c1OCCNC[C@@H]1COc2ccccc2O1
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| InChI |
InChI=1S/C20H23NO5.ClH/c1-22-18-7-6-14-8-10-23-19(14)20(18)24-11-9-21-12-15-13-25-16-4-2-3-5-17(16)26-15;/h2-7,15,21H,8-13H2,1H3;1H/t15-;/m1./s1
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| InChIKey |
RYWXHEQNEXECJD-XFULWGLBSA-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor