5335 -OEChem-02111911353D 36 38 0 0 0 0 0 0 0999 V2000 -0.2991 -2.1848 0.3841 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 -3.5281 0.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -1.9417 1.6917 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5404 0.0561 -0.1781 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 -1.5721 -0.8441 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 0.0758 0.1164 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1073 1.2731 -0.1458 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0779 -1.1978 -0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7307 -1.1560 0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 1.2227 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1575 -2.0408 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7515 -1.5475 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 0.0190 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2252 -1.2021 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8791 -0.7360 -0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9266 0.8304 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6989 1.3675 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1496 2.2552 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9667 0.4529 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0489 2.5448 -0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4016 3.4323 0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 3.5772 -0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 -2.1407 -1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1728 -3.1077 -0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 -2.4644 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9982 0.3299 1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2557 -1.4688 0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6823 -1.0400 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9821 1.7550 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4189 0.6274 -1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9941 2.1692 1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8968 2.6635 -1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6736 4.2356 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2789 4.4944 -0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1694 2.1366 0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8608 1.0018 -0.7634 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 5 1 0 0 0 0 1 9 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 6 14 2 0 0 0 0 7 19 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 19 2 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 18 21 2 0 0 0 0 18 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 M END > DB06729 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QWCJHSGMANYXCW-UHFFFAOYSA-N/SDF?record_type=3d > NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=NN1C1=CC=CC=C1 > InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2 > QWCJHSGMANYXCW-UHFFFAOYSA-N > C15H14N4O2S > 314.362 > 314.083746402 > 4 > 36 > 31.817811275190664 > 1 > 2 > 0 > 1 > 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)benzene-1-sulfonamide > 1.59 > 1.8070946609999998 > -3.05 > 0 > 3 > -1 > 6.820531606896829 > 2.43903415725443 > 90.01 > 85.20560000000003 > 3 > 1 > 2.78e-01 g/l > bosutinib monohydrate > 0 $$$$