General Information of the Compound
| Compound ID |
CP0430956
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| Compound Name |
3-(5-fluoro-1H-indol-3-yl)-N-(2-quinoxalin-5-yloxyethyl)propan-1-amine
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| Structure |
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| Formula |
C21H21FN4O
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| Molecular Weight |
364.424
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1
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| InChI |
InChI=1S/C21H21FN4O/c22-16-6-7-18-17(13-16)15(14-26-18)3-2-8-23-11-12-27-20-5-1-4-19-21(20)25-10-9-24-19/h1,4-7,9-10,13-14,23,26H,2-3,8,11-12H2
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| InChIKey |
VWAVMVBNSJOHSA-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