General Information of the Compound
| Compound ID |
CP0525950
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| Compound Name |
N-[(4-fluorophenyl)methyl]-5-methyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline
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| Structure |
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| Formula |
C22H23FN2S
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| Molecular Weight |
366.505
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| Canonical SMILES |
CNCc1ccccc1Sc1ccc(C)cc1NCc1ccc(F)cc1
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| InChI |
InChI=1S/C22H23FN2S/c1-16-7-12-22(26-21-6-4-3-5-18(21)15-24-2)20(13-16)25-14-17-8-10-19(23)11-9-17/h3-13,24-25H,14-15H2,1-2H3
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| InChIKey |
OORQAYQYEWAQJS-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