General Information of the Compound
| Compound ID |
CP0452308
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| Compound Name |
2-N-(2-Hydroxyethyl)amino-1-(4-methylthiophenyl)propane
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| Structure |
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| Formula |
C12H19NOS
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| Molecular Weight |
225.357
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| Canonical SMILES |
CSc1ccc(CC(C)NCCO)cc1
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| InChI |
InChI=1S/C12H19NOS/c1-10(13-7-8-14)9-11-3-5-12(15-2)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3
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| InChIKey |
QIHVJZFQSKBHDX-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 = 2290867.65 nM
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| CL000006 | HEK293 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 10000 nM
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