General Information of the Compound
| Compound ID |
CP0866951
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| Compound Name |
[3-(5-Fluoro-1H-indol-2-yl)-propyl]-(2-phenoxy-ethyl)-amine
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| Structure |
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| Formula |
C19H21FN2O
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| Molecular Weight |
312.388
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCNCCOc3ccccc3)c2c1
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| InChI |
InChI=1S/C19H21FN2O/c20-16-8-9-19-18(13-16)15(14-22-19)5-4-10-21-11-12-23-17-6-2-1-3-7-17/h1-3,6-9,13-14,21-22H,4-5,10-12H2
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| InChIKey |
SBFWLGINQFNKPW-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