2763788 -OEChem-10051721053D 25 27 0 0 0 0 0 0 0999 V2000 0.3122 -0.7948 -0.0908 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4148 1.6696 0.1937 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3683 -1.2186 -0.1507 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7084 -1.3190 -0.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 0.3943 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9157 0.0579 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 0.4430 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 0.0760 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 1.6394 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 0.8483 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 1.0363 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6468 -1.2383 0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5768 0.6825 -0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9957 -1.5921 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1091 -0.0533 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9605 -0.6315 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5034 2.5732 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 1.9209 0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9536 2.0664 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 -2.0267 0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8247 -2.0675 -0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3283 1.4300 -0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2962 -2.6138 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1682 0.1596 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0108 -0.9068 -0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 7 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 21 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 17 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 12 14 2 0 0 0 0 12 20 1 0 0 0 0 13 16 2 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 M END > DB07614 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NRAHRUHGPGBWSI-UHFFFAOYSA-N/SDF?record_type=3d > N1C=CC(=N1)C1=CN=C(S1)C1=CC=CC=C1 > InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15) > NRAHRUHGPGBWSI-UHFFFAOYSA-N > C12H9N3S > 227.285 > 227.051717993 > 2 > 25 > 1.1201827336656029e-05 > 24.207124315910765 > 1 > 1 > 0 > 1 > 2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole > 2.81 > 2.990774611999999 > -3.64 > 0 > 0 > 3 > 0 > 13.571897614873778 > 2.0436104727248074 > 41.57 > 74.6037 > 2 > 1 > 5.22e-02 g/l > biotin > 0 $$$$