SB2 Mrv0541 02241214092D 27 30 0 0 0 0 999 V2000 4.2648 0.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8232 1.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6517 1.0986 0.0000 S 0 0 2 0 0 0 0 0 0 0 0 0 1.4693 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 1.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 0.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6955 0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9109 -0.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1756 0.8436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 1.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7779 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6063 0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2194 -0.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1543 0.5637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5132 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -0.7058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 -0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8217 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7161 -2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2011 -2.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 -2.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3571 -1.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8722 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0517 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5065 -3.3756 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 3 2 1 1 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M END > DB08521 > drugbank > C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1 > InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)/t27-/m1/s1 > InChIKey=CDMGBJANTYXAIV-HHHXNRCGSA-N > 3 > 40.00062048159358 > 1 > 1 > 377.099811044 > 0 > C21H16FN3OS > 1 > 4-[4-(4-fluorophenyl)-2-{4-[(R)-methanesulfinyl]phenyl}-1H-imidazol-5-yl]pyridine > 3.05 > 3.138292363333334 > -3.99 > 377.435 > 0 > 4 > 0 > 19.352010997582447 > 11.90855248298884 > 5.163155717504537 > 58.64 > 116.31340000000002 > 4 > 1 > 3.84e-02 g/l > 4-[5-(4-fluorophenyl)-2-{4-[(R)-methanesulfinyl]phenyl}-3H-imidazol-4-yl]pyridine > 0 > DB08521 > experimental > 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE $$$$