657038 -OEChem-10051720173D 30 32 0 0 0 0 0 0 0999 V2000 6.2364 -0.8740 0.0327 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1686 -2.7475 1.2774 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -0.1526 0.0214 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 2.5163 -0.1609 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 -2.9031 -1.0105 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6828 0.1950 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0628 1.5464 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5291 0.8323 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6716 -0.7833 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 0.4196 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4176 1.8698 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0246 -0.4491 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 2.1479 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3992 0.8832 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 1.2598 0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2802 -0.8233 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3159 -2.1947 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 0.8607 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6166 -1.2226 -0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5881 -0.3806 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7257 2.9111 -0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7902 -1.2181 0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8584 2.9710 -0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4497 1.1572 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 2.2247 0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -1.4989 -0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 1.5247 0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8869 -2.1916 -0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2904 -2.4666 -1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9258 -3.8886 -1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 17 2 0 0 0 0 3 6 1 0 0 0 0 3 8 2 0 0 0 0 4 7 1 0 0 0 0 4 13 2 0 0 0 0 5 17 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 16 19 2 0 0 0 0 16 26 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 M END > DB03509 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FLYGLPYJEQPCFY-UHFFFAOYSA-N/SDF?record_type=3d > NC(=O)C1=CC=CC2=NC=C(N=C12)C1=CC=C(Cl)C=C1 > InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20) > FLYGLPYJEQPCFY-UHFFFAOYSA-N > C15H10ClN3O > 283.712 > 283.051239664 > 3 > 30 > 3.163210011409269e-08 > 28.685411528559207 > 1 > 1 > 0 > 1 > 3-(4-chlorophenyl)quinoxaline-5-carboxamide > 2.69 > 2.7868390283333335 > -4.38 > 0 > 0 > 3 > 0 > 14.096626545983888 > 0.2371543901772546 > 68.87 > 76.0978 > 2 > 1 > 1.19e-02 g/l > biotin > 0 $$$$