General Information of the Compound
| Compound ID |
CP0254257
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| Compound Name |
(S)-2-(methylthio)-N-phenyl-N-(pyrrolidin-3-yl)benzamide
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| Structure |
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| Formula |
C18H20N2OS
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| Molecular Weight |
312.438
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| Canonical SMILES |
CSc1ccccc1C(=O)N([C@H]1CCNC1)c1ccccc1
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| InChI |
InChI=1S/C18H20N2OS/c1-22-17-10-6-5-9-16(17)18(21)20(15-11-12-19-13-15)14-7-3-2-4-8-14/h2-10,15,19H,11-13H2,1H3/t15-/m0/s1
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| InChIKey |
FLOGKESFYXJKPK-HNNXBMFYSA-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