51039094 -OEChem-10051722323D 60 65 0 0 0 0 0 0 0999 V2000 -4.6626 -4.0854 -0.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1538 2.1769 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9639 -2.6748 0.1875 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1662 -1.8611 -0.2721 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3089 1.4551 -0.7999 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5809 3.6197 0.5186 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2731 3.5051 -0.1652 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6365 -1.0903 -0.1861 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 -2.3562 1.1464 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 -2.2638 -0.0845 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -4.0323 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6147 -4.9416 0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5164 -4.3075 1.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5739 -4.1153 -1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2102 -2.8226 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0118 -0.4839 -0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 1.5100 -0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 0.1265 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0835 0.2834 0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7121 2.2957 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 2.1816 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9275 1.6587 0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0706 1.6398 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9159 2.4254 0.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 2.2428 0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8121 2.0052 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 1.2198 -1.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 1.4024 -1.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3687 4.1524 0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 3.0735 1.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9484 1.0658 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6091 -0.0375 0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 -1.1750 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 1.1267 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9804 0.0560 -0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5190 -2.9752 0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8907 -5.3418 1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5039 -5.7775 -0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1388 -5.1124 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1889 -3.9003 -2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7559 -3.3858 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0804 -4.1912 2.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1113 -5.3247 1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6754 -3.6062 1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1252 -2.1678 -0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 -0.4543 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0498 -0.1734 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 2.2367 0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5293 0.8142 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 2.5596 1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6105 0.7510 -2.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 1.0789 -2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2695 5.2194 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5813 3.4156 2.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0189 3.9495 1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0029 2.3659 2.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7089 -0.0941 1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 2.0311 -1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 0.0332 -1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7812 -3.9838 1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 26 1 0 0 0 0 2 31 1 0 0 0 0 3 11 1 0 0 0 0 3 15 2 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 45 1 0 0 0 0 5 21 1 0 0 0 0 5 23 1 0 0 0 0 5 49 1 0 0 0 0 6 20 1 0 0 0 0 6 29 2 0 0 0 0 7 21 2 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 35 1 0 0 0 0 9 33 2 0 0 0 0 9 36 1 0 0 0 0 10 36 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 46 1 0 0 0 0 19 22 2 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 30 1 0 0 0 0 25 50 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 34 35 2 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 M END > DB11652 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SDEAXTCZPQIFQM-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC(NC2=NC=NC3=CC=C(NC4=NC(C)(C)CO4)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1 > InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31) > SDEAXTCZPQIFQM-UHFFFAOYSA-N > C26H24N8O2 > 480.532 > 480.202222045 > 8 > 60 > 50.761096962668724 > 1 > 2 > 0 > 0 > N6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N4-(3-methyl-4-{[1,2,4]triazolo[1,5-a]pyridin-7-yloxy}phenyl)quinazoline-4,6-diamine > 3.87 > 5.250614880333333 > -5.08 > 0 > 6 > 0 > 17.076287402206216 > 4.57030144786026 > 110.85000000000001 > 148.3732 > 5 > 0 > 4.00e-03 g/l > N6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N4-(3-methyl-4-{[1,2,4]triazolo[1,5-a]pyridin-7-yloxy}phenyl)quinazoline-4,6-diamine > 0 $$$$