44462738 -OEChem-05201910573D 60 65 0 1 0 0 0 0 0999 V2000 7.1556 -0.9308 0.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 -4.3292 -0.6119 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9883 -1.4769 0.2338 N 0 0 2 0 0 0 0 0 0 0 0 0 -5.0178 0.4293 -0.5435 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0888 2.4171 0.4622 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3319 0.4470 0.6307 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 1.7456 -0.0355 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 3.6954 -0.2369 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6859 2.6180 -0.3863 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6111 -3.2175 -0.0918 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8139 -0.9301 -1.1317 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2505 0.7464 0.1929 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3133 0.4899 -0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4974 -0.4252 1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3318 -0.6482 -1.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 -2.7732 0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7609 0.9186 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9130 -3.7953 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6376 -3.2163 1.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6605 0.3867 -0.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5827 1.9481 0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 0.8845 -0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3041 2.4457 0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2038 1.9141 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 1.7402 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 2.4250 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7295 0.3745 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5513 -0.2063 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9713 -0.4164 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0077 3.7633 -0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 -1.7862 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 0.0589 0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4728 -2.0503 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2152 -3.2462 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3755 -1.4577 -1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3207 1.7432 0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2088 1.1427 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3405 0.5448 -0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5762 -0.6796 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2842 -0.1824 1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7018 -1.5334 -1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2461 -0.2825 -2.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2849 -2.7271 0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0080 -3.8392 -0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5944 -3.5799 -1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5407 -4.7977 -0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7108 -3.2310 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1447 -2.5810 2.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2588 -4.2324 2.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7578 -0.4068 -1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4065 2.3909 1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 0.4674 -1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1766 3.2472 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1119 3.4215 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4924 -1.2661 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5094 4.6804 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3572 -2.4974 -0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6378 1.0172 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1010 -2.3717 0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1714 -4.0503 -0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 34 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 54 1 0 0 0 0 6 25 2 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 26 2 0 0 0 0 8 30 1 0 0 0 0 9 30 2 0 0 0 0 10 34 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 21 23 2 0 0 0 0 21 51 1 0 0 0 0 22 24 2 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 55 1 0 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 30 56 1 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 M END > DB15190 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YBFGSJUVEOYPIS-OALUTQOASA-N/SDF?record_type=3d > CC(C)N1C[C@@H]2C[C@H]1CN2C1=CC=C(NC2=NC=C(N3N=CN=C23)C2=COC(=C2)C(N)=O)C=C1 > InChI=1S/C24H26N8O2/c1-14(2)30-10-19-8-18(30)11-31(19)17-5-3-16(4-6-17)29-23-24-27-13-28-32(24)20(9-26-23)15-7-21(22(25)33)34-12-15/h3-7,9,12-14,18-19H,8,10-11H2,1-2H3,(H2,25,33)(H,26,29)/t18-,19-/m0/s1 > YBFGSJUVEOYPIS-OALUTQOASA-N > C24H26N8O2 > 458.526 > 458.217872109 > 7 > 60 > 50.38968451048349 > 1 > 2 > 0 > 0 > 4-[8-({4-[(1S,4S)-5-(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl}amino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide > 2.87 > 2.19614677 > -3.35 > 1 > 6 > 1 > 15.16613051811784 > 13.597537210148934 > 8.846860099177764 > 117.82 > 139.7604 > 6 > 1 > 2.04e-01 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$