General Information of the Compound
| Compound ID |
CP0430340
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| Compound Name |
(S)-3-fluoro-N-isobutyl-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C16H20F4N2O
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| Molecular Weight |
332.341
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| Canonical SMILES |
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C(F)(F)F
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| InChI |
InChI=1S/C16H20F4N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(17)14(12)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1
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| InChIKey |
JEEXCFPOFSQJAA-NSHDSACASA-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