3325 -OEChem-02061916293D 35 35 0 0 0 0 0 0 0999 V2000 0.9743 -2.0460 1.1294 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4949 2.0420 -0.1266 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8046 -1.7708 -0.0591 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 2.6357 -0.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 2.2199 1.3161 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4327 0.4437 -0.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6062 -0.5556 -0.6697 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 -0.0455 0.5428 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5831 0.7639 -0.7522 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 2.7352 -0.7407 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3883 2.7925 0.2889 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2268 1.2489 1.5015 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -1.8230 -0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -2.6490 0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1248 -2.2817 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -0.3562 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3063 -1.8612 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3486 -2.6761 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 -0.3916 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7398 1.5750 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6516 -1.9001 -1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2114 -2.2316 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5401 -3.7009 0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2616 -2.6015 1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1888 -3.3353 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 -1.6841 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 -3.7218 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 -0.7547 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7748 0.9027 0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1716 2.4618 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9431 2.7529 -1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8196 3.1700 -0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4517 3.3444 1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3465 1.8755 2.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7156 0.3936 1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 6 16 2 0 0 0 0 7 17 1 0 0 0 0 7 19 2 0 0 0 0 8 16 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 20 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 20 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 17 18 2 0 0 0 0 18 27 1 0 0 0 0 M END > DB00927 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XUFQPHANEAPEMJ-UHFFFAOYSA-N/SDF?record_type=3d > NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1 > InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) > XUFQPHANEAPEMJ-UHFFFAOYSA-N > C8H15N7O2S3 > 337.445 > 337.044934829 > 8 > 35 > 31.660790323618677 > 1 > 4 > 0 > 0 > 3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide > -0.20 > -1.9500818776783027 > -3.10 > 0 > 1 > 1 > 19.96080663134764 > 9.287199600783744 > 8.378924312799668 > 175.83 > 80.46199999999999 > 6 > 1 > 2.71e-01 g/l > paricalcitol > 0 $$$$