General Information of the Compound
| Compound ID |
CP0354473
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| Compound Name |
N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C21H22F2N2O2
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| Molecular Weight |
372.415
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCNCCOc3cc(F)cc4CCCOc34)c2c1
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| InChI |
InChI=1S/C21H22F2N2O2/c22-16-3-4-19-18(11-16)15(13-25-19)5-6-24-7-9-26-20-12-17(23)10-14-2-1-8-27-21(14)20/h3-4,10-13,24-25H,1-2,5-9H2
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| InChIKey |
DUTGEQMBAUMVEL-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