General Information of the Compound
| Compound ID |
CP0847715
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| Compound Name |
2-(4-phenoxyphenyl)-4-phenylbut-3-yn-1-amine hydrochloride
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| Structure |
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| Formula |
C22H20ClNO
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| Molecular Weight |
349.861
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| Canonical SMILES |
Cl.NCC(C#Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C22H19NO.ClH/c23-17-20(12-11-18-7-3-1-4-8-18)19-13-15-22(16-14-19)24-21-9-5-2-6-10-21;/h1-10,13-16,20H,17,23H2;1H
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| InChIKey |
SMOHEJYMYJPXNW-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