General Information of the Compound
| Compound ID |
CP0388343
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| Compound Name |
(S)-Pyrrolidin-3-yl-(2-trifluoromethyl-benzyl)-carbamic acid ethyl ester
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| Structure |
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| Formula |
C15H19F3N2O2
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| Molecular Weight |
316.323
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| Canonical SMILES |
CCOC(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1
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| InChI |
InChI=1S/C15H19F3N2O2/c1-2-22-14(21)20(12-7-8-19-9-12)10-11-5-3-4-6-13(11)15(16,17)18/h3-6,12,19H,2,7-10H2,1H3/t12-/m0/s1
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| InChIKey |
FFJNDOUWRPDJJX-LBPRGKRZSA-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