General Information of the Compound
| Compound ID |
CP0431236
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| Compound Name |
2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(3-fluoro-propyl)-phenylamine
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| Structure |
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| Formula |
C18H23FN2S
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| Molecular Weight |
318.461
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| Canonical SMILES |
CN(C)Cc1ccccc1Sc1ccc(CCCF)cc1N
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| InChI |
InChI=1S/C18H23FN2S/c1-21(2)13-15-7-3-4-8-17(15)22-18-10-9-14(6-5-11-19)12-16(18)20/h3-4,7-10,12H,5-6,11,13,20H2,1-2H3
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| InChIKey |
WTJNBQYUXJFISF-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