General Information of the Compound
| Compound ID |
CP0403193
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| Compound Name |
4-(2-pyrrolidin-1-yl-pentanoyl)benzonitrile
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| Synonyms |
4-(2-pyrrolidin-1-yl-pentanoyl)benzonitrile
CHEMBL202518
SCHEMBL4932714
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| Structure |
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| Formula |
C16H20N2O
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| Molecular Weight |
256.349
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| Canonical SMILES |
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C16H20N2O/c1-2-5-15(18-10-3-4-11-18)16(19)14-8-6-13(12-17)7-9-14/h6-9,15H,2-5,10-11H2,1H3
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| InChIKey |
AQQRGNNYEPRIIF-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