General Information of the Compound
| Compound ID |
CP0411964
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| Compound Name |
N-[2-(2-chloro-6-methoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine
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| Structure |
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| Formula |
C24H26ClNO4
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| Molecular Weight |
427.928
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| Canonical SMILES |
COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1
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| InChI |
InChI=1S/C24H26ClNO4/c1-27-23-13-7-10-20(25)24(23)29-17-15-26-14-16-28-21-11-5-6-12-22(21)30-18-19-8-3-2-4-9-19/h2-13,26H,14-18H2,1H3
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| InChIKey |
WPQSKLTVRIUFBU-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