General Information of the Compound
| Compound ID |
CP0447521
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| Compound Name |
(3S)-3-[(S)-phenyl-[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
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| Structure |
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| Formula |
C18H18F3NO
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| Molecular Weight |
321.342
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| Canonical SMILES |
FC(F)(F)c1ccc(O[C@@H]([C@H]2CCNC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C18H18F3NO/c19-18(20,21)15-6-8-16(9-7-15)23-17(14-10-11-22-12-14)13-4-2-1-3-5-13/h1-9,14,17,22H,10-12H2/t14-,17+/m0/s1
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| InChIKey |
LVUBCLOONUNZAC-WMLDXEAASA-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