General Information of the Compound
| Compound ID |
CP0450959
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| Compound Name |
5-fluoro-3-[3-[4-[2-(3-fluorophenyl)phenyl]piperazin-1-yl]propyl]-1H-indole
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| Structure |
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| Formula |
C27H27F2N3
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| Molecular Weight |
431.53
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| Canonical SMILES |
Fc1cccc(c1)-c1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
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| InChI |
InChI=1S/C27H27F2N3/c28-22-7-3-5-20(17-22)24-8-1-2-9-27(24)32-15-13-31(14-16-32)12-4-6-21-19-30-26-11-10-23(29)18-25(21)26/h1-3,5,7-11,17-19,30H,4,6,12-16H2
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| InChIKey |
UMUZVNFDBCKQQS-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: PT00941, 5-hydroxytryptamine receptor 7