General Information of the Compound
| Compound ID |
CP0376632
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| Compound Name |
N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C20H20F2N2O2
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| Molecular Weight |
358.388
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCNCCOc3cc(F)cc4CCOc34)c2c1
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| InChI |
InChI=1S/C20H20F2N2O2/c21-15-1-2-18-17(10-15)14(12-24-18)3-5-23-6-8-25-19-11-16(22)9-13-4-7-26-20(13)19/h1-2,9-12,23-24H,3-8H2
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| InChIKey |
VRHDCZABKKGHEU-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