General Information of the Compound
| Compound ID |
CP0377951
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| Compound Name |
2-{2-[(3-Fluoro-propylamino)-methyl]-phenylsulfanyl}-5-methyl-phenylamine
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| Structure |
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| Formula |
C17H21FN2S
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| Molecular Weight |
304.434
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| Canonical SMILES |
Cc1ccc(Sc2ccccc2CNCCCF)c(N)c1
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| InChI |
InChI=1S/C17H21FN2S/c1-13-7-8-17(15(19)11-13)21-16-6-3-2-5-14(16)12-20-10-4-9-18/h2-3,5-8,11,20H,4,9-10,12,19H2,1H3
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| InChIKey |
TZHJRGABGIEARJ-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
Protein ID: PT00871, Sodium-dependent serotonin transporter