24901723 -OEChem-10051721093D 47 50 0 0 0 0 0 0 0999 V2000 -5.0673 -0.9381 -0.5978 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2790 -0.2087 -0.2457 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9561 -1.5390 -1.9204 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8768 -1.4246 0.0309 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0614 -2.1187 -1.7148 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 1.1919 -0.2625 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 3.4992 0.3124 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3853 2.6467 0.1654 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7994 -2.1508 0.5764 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1217 -1.4810 1.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 -2.1206 2.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -0.6336 2.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1576 -0.3047 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4398 -2.4888 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8897 -0.7583 -1.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7374 1.0257 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 -3.8707 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6517 2.0341 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0036 2.4356 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1164 3.2622 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 1.7962 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6925 0.1140 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6702 2.0197 0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 0.7315 -0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7684 1.1788 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5185 -0.1096 -1.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7199 -1.7880 1.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 -1.6277 1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7152 -2.4752 2.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 -2.6963 3.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -0.2084 3.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 -0.0241 2.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3034 -0.1792 -2.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0447 -4.0407 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3237 -4.0993 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5697 -4.5851 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7224 1.8874 -0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 4.1151 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6152 3.5596 0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7413 2.8449 1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 0.5451 -1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6712 1.3694 1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4376 -0.9313 -1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2811 -2.9935 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4017 -0.9698 2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6949 -1.5123 2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0065 -2.6559 2.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 14 2 0 0 0 0 5 15 1 0 0 0 0 6 16 2 0 0 0 0 6 19 1 0 0 0 0 7 19 2 0 0 0 0 7 20 1 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 8 39 1 0 0 0 0 9 27 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END > DB07791 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MZWCVBFANHIPTJ-UHFFFAOYSA-N/SDF?record_type=3d > CNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C2CC2)C=C1 > InChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23) > MZWCVBFANHIPTJ-UHFFFAOYSA-N > C18H20N6O2S > 384.455 > 384.136844604 > 6 > 47 > 0.08952443280190192 > 39.88374327373549 > 1 > 2 > 0 > 1 > 4-{[4-(1-cyclopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino}-N-methylbenzene-1-sulfonamide > 1.91 > 1.6450662100000004 > -3.19 > 0 > 0 > 4 > 0 > 12.580935109308587 > 10.62713725840448 > 5.99383507995165 > 101.8 > 102.35419999999998 > 5 > 1 > 2.51e-01 g/l > biotin > 0 $$$$