General Information of the Compound
| Compound ID |
CP0892862
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| Compound Name |
[2-(2-Benzyl-phenoxy)-ethyl]-[2-(2,6-dimethoxy-phenoxy)-ethyl]-amine
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| Structure |
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| Formula |
C25H29NO4
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| Molecular Weight |
407.51
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| Canonical SMILES |
COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1
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| InChI |
InChI=1S/C25H29NO4/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-22-12-7-6-11-21(22)19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
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| InChIKey |
ONMIMCVGCGOVHM-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