25011728 -OEChem-10051720593D 42 45 0 0 0 0 0 0 0999 V2000 -3.8410 1.0385 -2.5671 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4006 2.3528 -1.2699 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4438 -0.2907 1.8139 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 1.9473 2.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5571 3.2202 -1.4454 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6386 1.9195 -2.4326 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -1.0371 -0.7667 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 -2.5827 0.1002 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3031 -1.7926 -0.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 -4.1561 -0.2023 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3308 3.0798 -0.1533 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 0.5853 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5719 0.2799 -0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0866 1.8633 1.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1545 1.3181 -1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6557 2.9064 0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9029 0.9389 -0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1091 0.5793 2.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5873 -1.3811 0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1961 2.6238 -0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -2.0913 -0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1852 -0.2515 -0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0225 0.9996 0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7068 -1.3203 1.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5032 -2.8574 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4244 -0.1300 1.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0849 -3.3797 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1571 -4.3822 -0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1734 -1.2170 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 3.9118 1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5971 0.2027 3.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 0.5544 3.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6494 3.4314 -1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3408 -0.2870 -1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 -3.4154 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 1.9177 0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0298 -2.1930 1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2951 -0.0822 1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1258 -3.6054 -0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4475 -5.4266 -0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6358 3.9473 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 3.0545 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 4 14 1 0 0 0 0 4 18 1 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 7 29 1 0 0 0 0 8 19 1 0 0 0 0 8 25 1 0 0 0 0 8 35 1 0 0 0 0 9 21 2 0 0 0 0 9 25 1 0 0 0 0 10 25 2 0 0 0 0 10 28 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 15 20 1 0 0 0 0 16 20 2 0 0 0 0 16 30 1 0 0 0 0 17 22 1 0 0 0 0 17 23 2 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 24 1 0 0 0 0 20 33 1 0 0 0 0 21 27 1 0 0 0 0 22 34 1 0 0 0 0 23 26 1 0 0 0 0 23 36 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 26 38 1 0 0 0 0 27 28 2 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 M END > DB07252 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TZHCXOMEOHEZDX-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1 > InChI=1S/C17H14ClN5O4S/c18-12-4-5-13-16(27-9-26-13)15(12)22-14-6-7-20-17(23-14)21-10-2-1-3-11(8-10)28(19,24)25/h1-8H,9H2,(H2,19,24,25)(H2,20,21,22,23) > TZHCXOMEOHEZDX-UHFFFAOYSA-N > C17H14ClN5O4S > 419.842 > 419.045502358 > 8 > 42 > 0.014211343819365327 > 38.98464470003306 > 1 > 3 > 0 > 1 > 3-({4-[(5-chloro-2H-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide > 3.23 > 3.036139472333333 > -4.20 > 0 > 0 > 4 > 0 > 12.747083780181715 > 10.235375152334754 > 4.1766861827560335 > 128.46 > 102.6838 > 5 > 1 > 2.67e-02 g/l > biotin > 0 $$$$