General Information of the Compound
| Compound ID |
CP0372823
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| Compound Name |
2-Aminoethyl-5-(3'-(2''-methoxy-5''-fluorophenyl)-1'-butyl)tetrahydrofuran
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| Structure |
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| Formula |
C17H26FNO2
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| Molecular Weight |
295.398
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| Canonical SMILES |
COc1ccc(F)cc1CCCCC1CCC(CCN)O1
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| InChI |
InChI=1S/C17H26FNO2/c1-20-17-9-6-14(18)12-13(17)4-2-3-5-15-7-8-16(21-15)10-11-19/h6,9,12,15-16H,2-5,7-8,10-11,19H2,1H3
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| InChIKey |
KJRMGZKFHBXRRA-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter