98614 -OEChem-10051721273D 24 26 0 0 0 0 0 0 0999 V2000 -0.1814 2.2330 -0.0383 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3539 -2.4586 0.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4074 1.5371 -0.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9533 -0.7857 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6127 -1.5172 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -0.2757 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0775 -1.2320 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6059 0.0223 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8071 1.2723 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 0.9859 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 -0.1951 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1109 1.1158 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 -1.2676 0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2658 0.5656 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2136 -2.2669 -0.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 -1.9437 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1638 -1.0939 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6947 -2.0989 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5435 -0.1253 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6639 0.1725 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0585 2.0947 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0942 1.5797 -1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7124 -1.4606 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 0.7561 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 3 12 1 0 0 0 0 3 14 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 24 1 0 0 0 0 M END > DB08777 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NMMOEJUJKIXUQZ-UHFFFAOYSA-N/SDF?record_type=3d > O=C1NC=NC2=C1C1=C(CCCC1)S2 > InChI=1S/C10H10N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13) > NMMOEJUJKIXUQZ-UHFFFAOYSA-N > C10H10N2OS > 206.264 > 206.051383642 > 2 > 24 > -0.0014345384141072003 > 21.142938187077256 > 1 > 1 > 0 > 1 > 8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one > 1.60 > 2.255873344 > -3.56 > 0 > 0 > 3 > 0 > 9.842655098831315 > -0.5142658602846671 > 41.46 > 56.585399999999986 > 0 > 1 > 5.70e-02 g/l > biotin > 0 $$$$