General Information of the Compound
| Compound ID |
CP0567612
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| Compound Name |
4-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]benzene-1,2-diol
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| Structure |
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| Formula |
C18H23NO5
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| Molecular Weight |
333.384
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| Canonical SMILES |
COc1ccccc1OCCNCCCOc1ccc(O)c(O)c1
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| InChI |
InChI=1S/C18H23NO5/c1-22-17-5-2-3-6-18(17)24-12-10-19-9-4-11-23-14-7-8-15(20)16(21)13-14/h2-3,5-8,13,19-21H,4,9-12H2,1H3
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| InChIKey |
ISBAPZLLRFJIGB-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: PT06365, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor