General Information of the Compound
| Compound ID |
CP0448258
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| Compound Name |
3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine
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| Structure |
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| Formula |
C20H22F2N2O2
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| Molecular Weight |
360.404
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| Canonical SMILES |
COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12
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| InChI |
InChI=1S/C20H22F2N2O2/c1-25-19-7-5-16(22)12-20(19)26-10-9-23-8-2-3-14-13-24-18-6-4-15(21)11-17(14)18/h4-7,11-13,23-24H,2-3,8-10H2,1H3
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| InChIKey |
JVZKOTRMFQSGLN-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