44129601 -OEChem-10051721273D 35 37 0 0 0 0 0 0 0999 V2000 2.1636 -0.0543 2.5699 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4584 -3.9900 -0.2822 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5127 2.0746 0.0258 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7637 0.1815 0.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8697 2.1700 -0.2649 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 3.4062 -0.1881 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5429 -1.7895 0.2811 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8387 4.5056 -0.3755 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1811 0.9707 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2143 0.9938 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8175 2.2051 -0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1327 -0.0914 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4306 0.3676 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0008 -0.2094 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6394 -0.3819 0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4805 -0.7683 1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2808 -0.8198 -1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 3.2916 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6732 -2.6852 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2405 -1.9375 0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -1.9888 -1.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -2.5476 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3232 -2.9030 -0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8549 -1.1373 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9156 -0.3990 -2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 -2.2258 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3096 -3.6339 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3983 -2.2615 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6159 -2.3757 1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2515 -2.4534 -2.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7021 -1.9638 -1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6065 -3.3181 -1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1624 -3.5997 -0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 4.4834 -0.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3335 5.3809 -0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 22 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 15 2 0 0 0 0 5 10 1 0 0 0 0 5 18 2 0 0 0 0 6 11 2 0 0 0 0 6 18 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 26 1 0 0 0 0 8 18 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 25 1 0 0 0 0 19 23 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 20 22 2 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 M END > DB08789 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YPEOXUOUTBMBCX-UHFFFAOYSA-N/SDF?record_type=3d > CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C=C1 > InChI=1S/C15H12Cl2N4OS/c1-2-19-13(22)11-6-9-12(20-15(18)21-14(9)23-11)8-4-3-7(16)5-10(8)17/h3-6H,2H2,1H3,(H,19,22)(H2,18,20,21) > YPEOXUOUTBMBCX-UHFFFAOYSA-N > C15H12Cl2N4OS > 367.253 > 366.01088713 > 4 > 35 > 1.49021750103092e-05 > 36.01429987807174 > 1 > 2 > 0 > 1 > 2-amino-4-(2,4-dichlorophenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide > 3.76 > 3.947811150333333 > -5.13 > 0 > 0 > 3 > 0 > 16.196771929513275 > 13.900415998249434 > 2.311022467863225 > 80.9 > 93.54299999999998 > 3 > 1 > 2.75e-03 g/l > biotin > 0 $$$$