General Information of the Compound
| Compound ID |
CP0448769
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| Compound Name |
3-(5-fluoro-1H-indol-3-yl)-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]propan-1-amine
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| Structure |
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| Formula |
C23H27FN2O
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| Molecular Weight |
366.48
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCNCCOc3cccc4CCCCc34)c2c1
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| InChI |
InChI=1S/C23H27FN2O/c24-19-10-11-22-21(15-19)18(16-26-22)7-4-12-25-13-14-27-23-9-3-6-17-5-1-2-8-20(17)23/h3,6,9-11,15-16,25-26H,1-2,4-5,7-8,12-14H2
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| InChIKey |
WEVQBZNODPTEIQ-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: PT00871, Sodium-dependent serotonin transporter