General Information of the Compound
| Compound ID |
CP0167392
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| Compound Name |
(S)-N-(pyrrolidin-3-yl)-N-(2-(trifluoromethyl)benzyl)cyclobutanecarboxamide
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| Structure |
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| Formula |
C17H21F3N2O
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| Molecular Weight |
326.362
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| Canonical SMILES |
FC(F)(F)c1ccccc1CN([C@H]1CCNC1)C(=O)C1CCC1
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| InChI |
InChI=1S/C17H21F3N2O/c18-17(19,20)15-7-2-1-4-13(15)11-22(14-8-9-21-10-14)16(23)12-5-3-6-12/h1-2,4,7,12,14,21H,3,5-6,8-11H2/t14-/m0/s1
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| InChIKey |
DTBBOFHJHSCSAN-AWEZNQCLSA-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