General Information of the Compound
| Compound ID |
CP0436685
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| Compound Name |
2-[4-(4-phenylbutoxy)phenyl]ethanamine
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| Structure |
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| Formula |
C18H23NO
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| Molecular Weight |
269.388
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| Canonical SMILES |
NCCc1ccc(OCCCCc2ccccc2)cc1
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| InChI |
InChI=1S/C18H23NO/c19-14-13-17-9-11-18(12-10-17)20-15-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13-15,19H2
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| InChIKey |
XCDYTUBZSSNKSO-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1