General Information of the Compound
| Compound ID |
CP0469215
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| Compound Name |
N-[2-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine
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| Structure |
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| Formula |
C21H22F2N2O3
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| Molecular Weight |
388.414
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4OCCOc34)c2c1
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| InChI |
InChI=1S/C21H22F2N2O3/c22-15-3-4-18-17(10-15)14(13-25-18)2-1-5-24-6-7-26-19-11-16(23)12-20-21(19)28-9-8-27-20/h3-4,10-13,24-25H,1-2,5-9H2
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| InChIKey |
ALJJNAMKZDVVQD-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