General Information of the Compound
| Compound ID |
CP0392192
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| Compound Name |
3-(3-methylsulfonylphenyl)pyrrolidine
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| Structure |
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| Formula |
C11H15NO2S
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| Molecular Weight |
225.313
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)C1CCNC1
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| InChI |
InChI=1S/C11H15NO2S/c1-15(13,14)11-4-2-3-9(7-11)10-5-6-12-8-10/h2-4,7,10,12H,5-6,8H2,1H3
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| InChIKey |
HGUNXXODCCBAQQ-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor