Citation | Kulagowski, JJ; Blair, W; Bull, RJ; Chang, C; Deshmukh, G; Dyke, HJ; Eigenbrot, C; Ghilardi, N; Gibbons, P; Harrison, TK; Hewitt, PR; Liimatta, M; Hurley, CA; Johnson, A; Johnson, T; Kenny, JR; Bir Kohli, P; Maxey, RJ; Mendonca, R; Mortara, K; Murray, J; Narukulla, R; Shia, S; Steffek, M; Ubhayakar, S; Ultsch, M; van Abbema, A; Ward, SI; Waszkowycz, B; Zak, M Identification of imidazo-pyrrolopyridines as novel and potent JAK1 inhibitors. J Med Chem55:5901-21 (2012) [PubMed] Article |
---|
SMILES | CC(C)C(=O)N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:6.5,wD:9.12,(36.92,-7.95,;35.39,-7.94,;34.62,-6.6,;34.61,-9.27,;35.37,-10.61,;33.07,-9.26,;32.29,-10.58,;33.05,-11.92,;32.27,-13.25,;30.73,-13.24,;29.96,-11.91,;30.75,-10.58,;29.96,-14.57,;28.44,-14.41,;27.82,-15.81,;28.95,-16.83,;28.95,-18.38,;30.29,-19.15,;31.62,-18.37,;33.09,-18.85,;33.99,-17.6,;33.09,-16.35,;31.62,-16.83,;30.28,-16.07,)| |