3547 -OEChem-10051721153D 37 39 0 1 0 0 0 0 0999 V2000 0.4598 1.1937 0.3026 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1933 1.9256 -0.9183 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3444 1.8109 1.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0014 0.4470 0.1666 N 0 0 1 0 0 0 0 0 0 0 0 0 5.0694 0.0538 -0.3765 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8191 0.5385 -0.5735 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1962 -0.3886 -1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 1.3309 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 -1.5612 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4149 0.5347 0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6074 -1.2478 -0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7672 -0.1083 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 0.1408 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -1.3615 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0011 -0.9407 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1938 -2.4272 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5763 1.4087 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5403 -2.2211 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3373 -0.6781 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9254 1.5499 -0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5992 0.2219 -1.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2431 -0.7869 -1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9041 1.9262 1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3351 2.0332 -0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 -2.3847 -1.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9037 -1.9413 0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 1.2246 1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2219 -0.2706 1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1632 -2.0361 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8942 -1.3267 -1.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0773 0.0065 -0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 -1.5545 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 -3.4171 1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9799 2.3104 -0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2267 -3.0637 0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 -1.4663 -0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3376 2.5189 -0.8714 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 4 1 0 0 0 0 1 12 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 31 1 0 0 0 0 6 19 2 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 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 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 M END > DB08162 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NGOGFTYYXHNFQH-UHFFFAOYSA-N/SDF?record_type=3d > O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2 > InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 > NGOGFTYYXHNFQH-UHFFFAOYSA-N > C14H17N3O2S > 291.369 > 291.104147493 > 4 > 37 > 0.9162264847271329 > 29.589175478018237 > 1 > 1 > 0 > 1 > 5-(1,4-diazepane-1-sulfonyl)isoquinoline > 0.16 > 0.32246442733333314 > -2.74 > 0 > 1 > 3 > 1 > 8.037418281231478 > 62.300000000000004 > 77.9234 > 1 > 1 > 5.31e-01 g/l > biotin > 0 $$$$