General Information of the Compound
| Compound ID |
CP0403298
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| Compound Name |
1-(3-iodophenyl)-2-pyrrolidin-1-yl-pentan-1-one
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| Synonyms |
1-(3-iodophenyl)-2-pyrrolidin-1-yl-pentan-1-one
CHEMBL426304
SCHEMBL4938442
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| Structure |
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| Formula |
C15H20INO
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| Molecular Weight |
357.235
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| Canonical SMILES |
CCCC(N1CCCC1)C(=O)c1cccc(I)c1
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| InChI |
InChI=1S/C15H20INO/c1-2-6-14(17-9-3-4-10-17)15(18)12-7-5-8-13(16)11-12/h5,7-8,11,14H,2-4,6,9-10H2,1H3
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| InChIKey |
NYDUTEZMPZHSRY-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound