5288016 -OEChem-10051721053D 45 47 0 0 0 0 0 0 0999 V2000 4.8153 2.4371 -0.3522 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 0.9249 1.1528 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1898 0.3809 -0.9526 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 -1.9723 0.7639 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -0.4232 0.3728 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2446 1.8595 -0.2117 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6045 -2.0297 -0.4957 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 -3.1098 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7065 -3.6708 0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2778 -4.1639 0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5298 -2.6690 -1.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4241 -0.6553 0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 0.3119 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9284 1.5933 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9239 0.0450 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8415 1.0576 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0121 2.5879 -0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3848 2.3304 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2615 0.7896 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0834 0.8370 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 -0.4839 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1475 1.8049 0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 1.1402 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1150 -0.7422 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5168 1.5467 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0005 0.2731 0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3236 -2.0658 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 -3.9305 1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -4.5772 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -2.9561 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 -4.4772 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5107 -5.0566 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6855 -3.7723 -0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6869 -3.5437 -2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -2.1624 -1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -2.0122 -1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2649 -0.9466 0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 3.5908 -0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0561 3.1496 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0874 -1.2895 -0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8147 2.8030 0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2063 2.3350 0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0697 0.0841 0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9635 -2.7671 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5972 -2.2172 -0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 27 1 0 0 0 0 5 12 2 0 0 0 0 5 20 1 0 0 0 0 6 14 1 0 0 0 0 6 20 2 0 0 0 0 7 24 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 41 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END > DB07612 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XQKJVNGGVLHNLA-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)NC1=NC(=NC2=C1C=C(C=C2)C1=CC=CC(N)=C1)C(F)(F)F > InChI=1S/C19H19F3N4/c1-18(2,3)26-16-14-10-12(11-5-4-6-13(23)9-11)7-8-15(14)24-17(25-16)19(20,21)22/h4-10H,23H2,1-3H3,(H,24,25,26) > XQKJVNGGVLHNLA-UHFFFAOYSA-N > C19H19F3N4 > 360.3762 > 360.156181243 > 4 > 45 > 0.0008984586427132401 > 35.946963159820854 > 1 > 2 > 0 > 1 > 6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine > 5.03 > 4.981863252666668 > -5.09 > 0 > 0 > 3 > 0 > 18.541085942639437 > 3.954414455133102 > 63.83 > 98.58460000000002 > 4 > 1 > 2.92e-03 g/l > tetrahydrofolic acid > 0 $$$$