General Information of the Compound
| Compound ID |
CP0524176
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| Compound Name |
4-fluoro-N-[5-methyl-2-[2-(methylaminomethyl)phenyl]sulfanylphenyl]benzamide
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| Structure |
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| Formula |
C22H21FN2OS
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| Molecular Weight |
380.488
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| Canonical SMILES |
CNCc1ccccc1Sc1ccc(C)cc1NC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H21FN2OS/c1-15-7-12-21(27-20-6-4-3-5-17(20)14-24-2)19(13-15)25-22(26)16-8-10-18(23)11-9-16/h3-13,24H,14H2,1-2H3,(H,25,26)
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| InChIKey |
SAGAKZDNFJIHDD-UHFFFAOYSA-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