General Information of the Compound
| Compound ID |
CP0453023
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| Compound Name |
2-N-Hydroxyamino-1-(4-methylthiophenyl)butane
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| Synonyms |
1204749-75-6
2-N-Hydroxyamino-1-(4-methylthiophenyl)butane
CHEMBL1078920
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| Structure |
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| Formula |
C11H17NOS
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| Molecular Weight |
211.33
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| Canonical SMILES |
CCC(Cc1ccc(SC)cc1)NO
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| InChI |
InChI=1S/C11H17NOS/c1-3-10(12-13)8-9-4-6-11(14-2)7-5-9/h4-7,10,12-13H,3,8H2,1-2H3
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| InChIKey |
HJFQUPKLSAEIPC-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