24771758 -OEChem-10051721263D 45 47 0 0 0 0 0 0 0999 V2000 -3.3427 1.5692 -0.0920 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4435 -0.4602 -0.1926 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 2.2457 0.0146 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4777 -3.8287 0.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0482 -0.0076 1.0481 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9502 0.0122 -1.4693 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7717 -1.8887 0.1566 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0521 0.2318 0.0746 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -0.7458 0.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0921 -1.9833 0.0146 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4062 -2.1662 -0.2063 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 -0.3214 0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5595 0.2164 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 -1.6796 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9636 1.6311 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -0.6728 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8827 2.3160 -1.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4024 -0.1133 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3334 -2.6118 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5962 -0.8891 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4612 -3.1572 0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6637 1.2391 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7247 -0.0999 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 3.7868 -1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8743 3.1662 1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2109 4.2112 0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9871 1.7246 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3223 2.1713 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9038 1.2350 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 1.7980 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 2.2288 -1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6293 -1.9712 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1425 -3.7158 1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5404 -2.9874 0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2052 -3.6969 -0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5956 4.3394 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2901 3.9116 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1952 4.2338 -2.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7395 2.6158 2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 3.6674 1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1737 -2.6454 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1396 -2.6362 0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1986 3.7394 0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0965 4.7537 0.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1811 4.9274 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 11 1 0 0 0 0 2 23 1 0 0 0 0 3 22 1 0 0 0 0 3 25 1 0 0 0 0 4 19 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 29 1 0 0 0 0 9 13 2 0 0 0 0 10 16 2 0 0 0 0 10 19 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 17 24 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 22 2 0 0 0 0 20 23 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END > DB08729 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FENWRHVHBZQJGW-UHFFFAOYSA-N/SDF?record_type=3d > CCCC1=NN(C)C2=C1N=C(NC2=O)C1=C(OCC)SC(=C1)S(N)(=O)=O > InChI=1S/C15H19N5O4S2/c1-4-6-9-11-12(20(3)19-9)14(21)18-13(17-11)8-7-10(26(16,22)23)25-15(8)24-5-2/h7H,4-6H2,1-3H3,(H2,16,22,23)(H,17,18,21) > FENWRHVHBZQJGW-UHFFFAOYSA-N > C15H19N5O4S2 > 397.472 > 397.087845501 > 6 > 45 > -0.04265227171450631 > 40.1442764209544 > 1 > 2 > 0 > 1 > 5-ethoxy-4-{1-methyl-7-oxo-3-propyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}thiophene-2-sulfonamide > 2.20 > 1.1695521569999994 > -3.08 > 1 > 0 > 3 > 0 > 9.181266841085527 > 8.501728230214523 > -1.3801761514814337 > 128.67 > 109.45599999999996 > 6 > 1 > 3.31e-01 g/l > biotin > 0 $$$$