General Information of the Compound
| Compound ID |
CP0494726
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| Compound Name |
2-(N-Methyl-N-hydroxy)amino-1-(4-ethylthiophenyl)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 |
CCSc1ccc(CC(C)N(C)O)cc1
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| InChI |
InChI=1S/C12H19NOS/c1-4-15-12-7-5-11(6-8-12)9-10(2)13(3)14/h5-8,10,14H,4,9H2,1-3H3
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| InChIKey |
RMYDTRNCYJXIEA-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 = 43651.58 nM
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TI
LI
LO
TS
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| CL000006 | HEK293 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 12302.69 nM
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TI
LI
LO
TS
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