Ligand id: 7547

Name: citalopram

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 36.26
Molecular weight 324.16
XLogP 3.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Ben-Daniel R, Deuther-Conrad W, Scheunemann M, Steinbach J, Brust P, Mishani E. (2008)
Carbon-11 labeled indolylpropylamine analog as a new potential PET agent for imaging of the serotonin transporter.
Bioorg. Med. Chem., 16 (12): 6364-70. [PMID:18487050]
2. Zhang P, Jørgensen TN, Loland CJ, Newman AH. (2013)
A rhodamine-labeled citalopram analogue as a high-affinity fluorescent probe for the serotonin transporter.
Bioorg. Med. Chem. Lett., 23 (1): 323-6. [PMID:23168018]