General Information of the Compound
| Compound ID |
CP0552435
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| Compound Name |
3-(4-fluorophenyl)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
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| Structure |
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| Formula |
C22H24FNO
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| Molecular Weight |
337.438
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| Canonical SMILES |
CC(NCCC(c1ccco1)c1ccc(F)cc1)c1ccc(C)cc1
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| InChI |
InChI=1S/C22H24FNO/c1-16-5-7-18(8-6-16)17(2)24-14-13-21(22-4-3-15-25-22)19-9-11-20(23)12-10-19/h3-12,15,17,21,24H,13-14H2,1-2H3
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| InChIKey |
DICVVCHTJXVHLT-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7