General Information of the Compound
| Compound ID |
CP0465101
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| Compound Name |
5-Chloro-2-(2-dimethylaminomethyl-phenylsulfanyl)-4-fluoro-phenylamine
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| Structure |
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| Formula |
C15H16ClFN2S
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| Molecular Weight |
310.825
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| Canonical SMILES |
CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1N
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| InChI |
InChI=1S/C15H16ClFN2S/c1-19(2)9-10-5-3-4-6-14(10)20-15-8-12(17)11(16)7-13(15)18/h3-8H,9,18H2,1-2H3
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| InChIKey |
USYMRZQDAPXSPI-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: PT01487, Sodium-dependent dopamine transporter
Protein ID: PT00891, Sodium-dependent serotonin transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter