447955 -OEChem-10051720073D 19 20 0 0 0 0 0 0 0999 V2000 0.7611 2.7711 -0.3265 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4203 -1.6588 -0.0450 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1251 0.9992 -0.3162 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 -0.2966 -0.8405 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3481 -0.2438 0.5072 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4668 -0.5976 -1.8095 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7885 0.0034 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -0.0762 0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7085 -1.0871 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 1.1970 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1932 0.0690 1.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0094 -0.6863 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 -0.3682 -0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5689 -0.0250 1.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 -2.1155 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 0.2458 2.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0989 0.0761 2.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0131 -0.6974 -2.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4718 -0.6589 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 8 2 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > DB03019 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PAPYICJQRHSQGK-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC=CC(=N1)C1=C(Cl)SC(Cl)=C1 > InChI=1S/C8H5Cl2N3S/c9-6-3-4(7(10)14-6)5-1-2-12-8(11)13-5/h1-3H,(H2,11,12,13) > PAPYICJQRHSQGK-UHFFFAOYSA-N > C8H5Cl2N3S > 246.116 > 244.958123279 > 3 > 19 > 0.0027505619259192904 > 22.30193948028507 > 1 > 1 > 0 > 0 > 4-(2,5-dichlorothiophen-3-yl)pyrimidin-2-amine > 3.18 > 3.2531944606666663 > -3.84 > 0 > 0 > 2 > 0 > 16.455854886007543 > 3.449572954713362 > 51.8 > 57.168099999999995 > 1 > 1 > 3.58e-02 g/l > biotin > 0 $$$$