General Information of the Compound
| Compound ID |
CP0161477
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| Compound Name |
1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one
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| Synonyms |
1-(4-nitrophenyl)-2-pyrrolidin-1-yl-pentan-1-one
CHEMBL379446
SCHEMBL4938101
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| Structure |
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| Formula |
C15H20N2O3
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| Molecular Weight |
276.336
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| Canonical SMILES |
CCCC(N1CCCC1)C(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H20N2O3/c1-2-5-14(16-10-3-4-11-16)15(18)12-6-8-13(9-7-12)17(19)20/h6-9,14H,2-5,10-11H2,1H3
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| InChIKey |
NAHZCGQMXZCULW-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