Ligand id: 3498

Name: CRA1000

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 57.56
Molecular weight 476.24
XLogP 8.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Chaki S, Okuyama S, Nakazato A, Kumagai T, Okubo T, Ikeda Y, Oshida Y, Hamajima Y, Tomisawa K. (1999)
In vitro pharmacological profile of nonpeptide CRF1 receptor antagonists, CRA1000 and CRA1001.
Eur. J. Pharmacol., 371 (2-3): 205-11. [PMID:10357258]