General Information of the Compound
| Compound ID |
CP0400304
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| Compound Name |
1-(4-Benzylsulfanyl-phenyl)-propylamine
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| Synonyms |
1-(4-Benzylsulfanyl-phenyl)-propylamine
BDBM50310833
CHEMBL1079057
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| Structure |
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| Formula |
C16H19NS
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| Molecular Weight |
257.402
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| Canonical SMILES |
CC(N)Cc1ccc(SCc2ccccc2)cc1
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| InChI |
InChI=1S/C16H19NS/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10,13H,11-12,17H2,1H3
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| InChIKey |
TXLRFCSLKMDOTM-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000004 | SH-SY5Y | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 19498.45 nM
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LO
TS
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| CL000006 | HEK293 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 2951.21 nM
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LI
LO
TS
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Clinical Information about the Compound