General Information of the Compound
| Compound ID |
CP0440941
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| Compound Name |
3-(3-Methanesulfonyl-phenyl)-1-propyl-pyrrolidine
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| Synonyms |
3-(3-Methanesulfonyl-phenyl)-1-propyl-pyrrolidine
CHEMBL310745
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| Structure |
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| Formula |
C14H21NO2S
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| Molecular Weight |
267.394
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| Canonical SMILES |
CCCN1CCC(C1)c1cccc(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C14H21NO2S/c1-3-8-15-9-7-13(11-15)12-5-4-6-14(10-12)18(2,16)17/h4-6,10,13H,3,7-9,11H2,1-2H3
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| InChIKey |
RJYDYJIGFDPBRL-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
Clinical Information about the Compound