9819610 -OEChem-10051721013D 37 39 0 0 0 0 0 0 0999 V2000 -3.4734 -0.5169 -1.4024 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5717 1.9166 1.4043 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -1.5175 -1.4444 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 1.6492 -0.3857 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1103 0.0364 0.3079 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1413 -3.1309 1.3693 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2975 0.4642 -0.6073 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1231 0.9442 0.8678 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7011 2.0370 1.4825 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2854 -1.4697 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0632 -2.5035 0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 -1.2903 -0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 -0.8630 -0.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 -2.9307 0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3163 -2.3242 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 -1.0010 -0.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7872 0.7617 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3581 0.7033 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3325 1.3343 -0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7323 1.7887 -1.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6871 2.4453 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1237 2.1971 0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5496 1.2697 -1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6135 -0.0570 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -3.7351 1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3229 -2.6707 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 0.3793 1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9604 -3.8787 2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0935 -2.8391 1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3879 2.6382 -1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1927 1.9636 -2.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3261 0.8731 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3447 3.2814 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7838 2.9552 1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3970 1.7629 -0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 0.2291 -1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3756 1.7595 -2.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 2 22 1 0 0 0 0 3 16 2 0 0 0 0 4 17 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 5 27 1 0 0 0 0 6 11 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 21 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END > DB07358 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JEBOJMQHVUEKBE-UHFFFAOYSA-N/SDF?record_type=3d > CN1C=NN=C1SC1=CC=C(N)C(=C1)C(=O)NC1=NC(C)=CS1 > InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21) > JEBOJMQHVUEKBE-UHFFFAOYSA-N > C14H14N6OS2 > 346.431 > 346.06705048 > 5 > 37 > -2.4418579720787782e-05 > 35.05690212851118 > 1 > 2 > 0 > 1 > 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide > 2.10 > 2.3783714729999996 > -3.30 > 0 > 0 > 3 > 0 > 19.038373382255624 > 11.48750541603133 > 1.836872742082937 > 98.72 > 95.79019999999997 > 4 > 1 > 1.72e-01 g/l > biotin > 0 $$$$