Ligand id: 3499

Name: DMP696

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 73.57
Molecular weight 409.11
XLogP 2.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. He L, Gilligan PJ, Zaczek R, Fitzgerald LW, McElroy J, Shen HS, Saye JA, Kalin NH, Shelton S, Christ D et al.. (2000)
4-(1,3-Dimethoxyprop-2-ylamino)-2,7-dimethyl-8-(2, 4-dichlorophenyl)pyrazolo[1,5-a]-1,3,5-triazine: a potent, orally bioavailable CRF(1) receptor antagonist.
J. Med. Chem., 43 (3): 449-56. [PMID:10669572]