General Information of the Compound
| Compound ID |
CP0400305
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| Compound Name |
2-N-Ethylamino-1-(4-methylthiophenyl)butane
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| Synonyms |
2-N-Ethylamino-1-(4-methylthiophenyl)butane
CHEMBL1077897
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| Structure |
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| Formula |
C13H21NS
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| Molecular Weight |
223.385
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| Canonical SMILES |
CCNC(CC)Cc1ccc(SC)cc1
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| InChI |
InChI=1S/C13H21NS/c1-4-12(14-5-2)10-11-6-8-13(15-3)9-7-11/h6-9,12,14H,4-5,10H2,1-3H3
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| InChIKey |
DVPCSQHSLVMBEG-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: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT00891, Sodium-dependent serotonin transporter
Clinical Information about the Compound