Ketcher 01071615462D 1 1.00000 0.00000 0 35 38 0 1 0 999 V2000 19.1072 -4.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1072 -5.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2397 -5.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3722 -5.1160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3722 -4.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2397 -3.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2397 -2.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9747 -5.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4912 -5.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4915 -6.6185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6240 -7.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7564 -6.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7561 -5.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6236 -5.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8841 -7.1228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0257 -6.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1778 -7.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0252 -5.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1780 -8.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3105 -8.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4429 -8.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4427 -7.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3102 -6.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3099 -5.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5756 -6.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7188 -7.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8512 -6.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8509 -5.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7077 -5.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5753 -5.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9766 -5.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1116 -5.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2666 -5.1170 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1116 -6.6183 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2565 -6.0987 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 6 7 1 1 0 0 2 8 1 1 0 0 4 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 9 14 1 0 0 0 12 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 16 18 2 0 0 0 17 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 17 23 1 0 0 0 23 24 1 0 0 0 22 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 25 30 1 0 0 0 28 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 32 34 1 0 0 0 32 35 1 0 0 0 M END > CHEBI:90863 > sonidegib > A member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma. > 3 > NVP-LDE225; NVP-LDE 225; N-[6-(cis-2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide; LDE225; LDE-225; LDE 225; Erismodegib > rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide > sonidegib > C26H26F3N3O3 > 485.499 > 485.19263 > 0 > O1[C@H](CN(C[C@H]1C)C2=NC=C(C=C2)NC(C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F)=O)C > InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+ > VZZJRYRQSPEMTK-CALCHBBNSA-N > 956697-53-3 > 19431762 > 956697-53-3 > D10119 > LSM-4938 > Sonidegib > 23482671; 23935925; 24523439; 24817600; 25093491; 25216523; 25473003; 25981810; 26106586; 26483188; 26516158; 26546616 $$$$