General Information of the Compound
| Compound ID |
CP0404465
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| Compound Name |
N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C21H23FN2O2
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| Molecular Weight |
354.425
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| Canonical SMILES |
Fc1cc2CCCOc2c(OCCNCCc2c[nH]c3ccccc23)c1
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| InChI |
InChI=1S/C21H23FN2O2/c22-17-12-15-4-3-10-26-21(15)20(13-17)25-11-9-23-8-7-16-14-24-19-6-2-1-5-18(16)19/h1-2,5-6,12-14,23-24H,3-4,7-11H2
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| InChIKey |
ISBIUGFQLVFPNK-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