General Information of the Compound
| Compound ID |
CP0418834
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| Compound Name |
(3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine
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| Structure |
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| Formula |
C17H17F2NO
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| Molecular Weight |
289.325
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| Canonical SMILES |
Fc1cccc(F)c1O[C@H]([C@H]1CCNC1)c1ccccc1
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| InChI |
InChI=1S/C17H17F2NO/c18-14-7-4-8-15(19)17(14)21-16(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,16,20H,9-11H2/t13-,16-/m0/s1
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| InChIKey |
RSAGNBIVUSOUTP-BBRMVZONSA-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