General Information of the Compound
| Compound ID |
CP0389644
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| Compound Name |
(2S,3S)-2-[alpha-(2-(3-Fluoropropyl)phenoxy)phenylmethyl]morpholine
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| Structure |
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| Formula |
C20H24FNO2
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| Molecular Weight |
329.415
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| Canonical SMILES |
FCCCc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
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| InChI |
InChI=1S/C20H24FNO2/c21-12-6-10-16-7-4-5-11-18(16)24-20(17-8-2-1-3-9-17)19-15-22-13-14-23-19/h1-5,7-9,11,19-20,22H,6,10,12-15H2/t19-,20-/m0/s1
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| InChIKey |
ROTDEDNYANYXDF-PMACEKPBSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter