"ChemAxon" . "InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)" . "5" . "2" . "13.22" . "2.55 mg/L (at 24 \u00B0C)" . "OC(=O)CCN1C2=C(C=C(O)C=C2)C2=C1C=C(C1=C2C(=O)NC1=O)C1=CC=CC=C1" . "vemurafenib" . "InChIKey=KGNSYMGWPCEFDZ-UHFFFAOYSA-N" . "ALOGPS" . "285.087332102" . "InChI=1S/C21H16BrN5O2/c1-12-7-15(10-24)8-13(2)19(12)29-20-18(22)17(11-28)26-21(27-20)25-16-5-3-14(9-23)4-6-16/h3-8,28H,11H2,1-2H3,(H,25,26,27)" . "-0.19" . "2.84" . "C10H11N5O2" . "YALKOWSKY,SH & DANNENFELSER,RM (1992)" . "117.86" . "3.98" . "1" .