General Information of the Compound
| Compound ID |
CP0415398
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| Compound Name |
3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine
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| Structure |
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| Formula |
C20H23FN2O2
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| Molecular Weight |
342.414
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| Canonical SMILES |
COc1ccccc1OCCNCCCc1c[nH]c2ccc(F)cc12
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| InChI |
InChI=1S/C20H23FN2O2/c1-24-19-6-2-3-7-20(19)25-12-11-22-10-4-5-15-14-23-18-9-8-16(21)13-17(15)18/h2-3,6-9,13-14,22-23H,4-5,10-12H2,1H3
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| InChIKey |
ZYYXVOLNZWMYHV-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