5326956 -OEChem-12031910053D 58 62 0 0 0 0 0 0 0999 V2000 -6.1363 -0.1389 -3.3180 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.6320 0.1859 2.4489 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.9016 -1.0540 2.8635 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.6965 1.1101 2.8071 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 -0.3173 0.5404 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 5.6329 -0.2246 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -0.3799 0.5257 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7562 -2.4338 0.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2688 -4.3329 0.5809 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7515 -0.5155 -1.5274 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9872 -4.0865 -0.0634 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 -0.3007 -1.4924 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 -0.9916 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4222 -2.1417 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4714 0.0884 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2634 -0.8705 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6916 -1.6803 0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3127 1.5142 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2345 -3.5217 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -0.8586 -1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -0.7641 0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4134 -0.6344 -1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5789 -0.7406 -2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0678 -0.6460 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5589 2.1616 -1.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9116 2.2580 1.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 3.5442 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7575 3.6406 1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0039 4.2838 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4489 -3.7464 0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8953 -0.3964 -0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 -0.1692 -1.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9869 0.0063 0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6651 -0.1221 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4043 -0.0917 -2.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0173 0.0856 -0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7261 0.0367 -1.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2991 0.0590 2.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4402 6.3274 0.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -0.9407 -2.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -0.7719 1.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3242 -0.7327 -3.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7751 -0.5685 1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8716 1.5996 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7153 1.7707 2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5979 4.0397 -2.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 4.1535 1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9247 -0.5143 -2.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2569 -4.4247 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1958 -3.5091 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8907 -5.0929 -0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9191 -0.3290 -2.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9205 -0.1775 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0531 0.1858 0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5282 0.0981 -2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 6.0118 1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3709 7.3890 0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1835 6.2413 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 38 1 0 0 0 0 3 38 1 0 0 0 0 4 38 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 29 1 0 0 0 0 6 39 1 0 0 0 0 7 31 2 0 0 0 0 8 17 2 0 0 0 0 8 30 1 0 0 0 0 9 19 1 0 0 0 0 9 30 2 0 0 0 0 10 22 1 0 0 0 0 10 31 1 0 0 0 0 10 48 1 0 0 0 0 11 19 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 19 2 0 0 0 0 15 18 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 20 23 1 0 0 0 0 20 40 1 0 0 0 0 21 24 2 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 29 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 30 49 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 33 38 1 0 0 0 0 34 53 1 0 0 0 0 35 37 1 0 0 0 0 36 37 2 0 0 0 0 36 54 1 0 0 0 0 37 55 1 0 0 0 0 39 56 1 0 0 0 0 39 57 1 0 0 0 0 39 58 1 0 0 0 0 M END > DB04727 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FGZIONRFHVNRJB-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(C=C1)C1=C(C2=C(N)N=CN=C2O1)C1=CC=C(NC(=O)NC2=C(F)C=CC(=C2)C(F)(F)F)C=C1 > InChI=1S/C27H19F4N5O3/c1-38-18-9-4-15(5-10-18)23-21(22-24(32)33-13-34-25(22)39-23)14-2-7-17(8-3-14)35-26(37)36-20-12-16(27(29,30)31)6-11-19(20)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37) > FGZIONRFHVNRJB-UHFFFAOYSA-N > C27H19F4N5O3 > 537.4651 > 537.142402319 > 5 > 58 > 48.89237319499472 > 0 > 3 > 0 > 0 > 3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea > 5.04 > 5.564592832666667 > -4.60 > 1 > 5 > 0 > 17.88718334793548 > 10.325271846689125 > 3.290583239726126 > 115.30000000000001 > 139.32789999999997 > 6 > 0 > 1.36e-02 g/l > (2S)-N-methyl-2-[(3S)-3-(2-methylpropyl)-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-3-(naphthalen-2-yl)propanamide > 0 $$$$