General Information of the Compound
| Compound ID |
CP0453209
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| Compound Name |
N-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C20H21FN2O3
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| Molecular Weight |
356.397
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCNCCOc3cccc4OCCOc34)c2c1
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| InChI |
InChI=1S/C20H21FN2O3/c21-15-4-5-17-16(12-15)14(13-23-17)6-7-22-8-9-24-18-2-1-3-19-20(18)26-11-10-25-19/h1-5,12-13,22-23H,6-11H2
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| InChIKey |
VDDABROBOWDPAL-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