24779674 -OEChem-10051721183D 37 40 0 0 0 0 0 0 0999 V2000 0.7217 -2.1156 0.0908 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6296 -0.7321 -0.0606 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4525 0.1524 0.2485 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4552 -1.2779 0.3967 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7215 1.0219 0.5555 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4457 -3.2392 -0.0571 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2744 -0.8447 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6182 -2.3283 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9134 -0.0798 0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3758 0.4471 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7819 -3.6935 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0496 1.1431 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5201 -4.2013 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5518 0.5137 -0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 1.5591 0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9174 1.9740 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 0.4333 -0.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2977 1.6921 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 2.7375 0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8678 2.8039 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2486 2.0948 0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8442 0.5544 -1.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7119 1.3851 -0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 -1.5669 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -4.2418 0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2959 1.8817 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8318 -5.2317 -0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8977 -0.3452 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 1.5425 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5682 2.5317 1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 -0.2001 -1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2136 1.7438 -1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3645 3.5997 1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 3.7205 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9242 2.7418 1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2038 0.0070 -2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 1.4805 -0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 24 1 0 0 0 0 3 7 2 0 0 0 0 3 9 1 0 0 0 0 4 8 1 0 0 0 0 4 9 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 26 1 0 0 0 0 6 13 2 0 0 0 0 8 11 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 21 1 0 0 0 0 16 30 1 0 0 0 0 17 22 2 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M END > DB08340 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LLYYAUZAGCZEKV-UHFFFAOYSA-N/SDF?record_type=3d > N(C1=CC=CC=C1)C1=NC2=CC=NN2C(NC2=CC=CC=C2)=N1 > InChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22) > LLYYAUZAGCZEKV-UHFFFAOYSA-N > C17H14N6 > 302.3333 > 302.127994478 > 5 > 37 > -4.759626248588493e-06 > 32.15050626553633 > 1 > 2 > 0 > 1 > N2,N4-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine > 3.51 > 4.209340557 > -4.31 > 0 > 0 > 4 > 0 > 15.541969670990126 > 12.219692092132252 > 1.1196389757162575 > 67.14 > 99.33940000000003 > 4 > 1 > 1.47e-02 g/l > biotin > 0 $$$$