General Information of the Compound
| Compound ID |
CP0375932
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| Compound Name |
3-(2,6-dimethoxyphenyl)-N-[2-(2-phenylmethoxyphenoxy)ethyl]propan-1-amine
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| Structure |
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| Formula |
C26H31NO4
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| Molecular Weight |
421.537
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| Canonical SMILES |
COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1
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| InChI |
InChI=1S/C26H31NO4/c1-28-23-15-8-16-24(29-2)22(23)12-9-17-27-18-19-30-25-13-6-7-14-26(25)31-20-21-10-4-3-5-11-21/h3-8,10-11,13-16,27H,9,12,17-20H2,1-2H3
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| InChIKey |
YFWWJPOZWVDALE-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor