24989044 -OEChem-12041918303D 63 67 0 0 0 0 0 0 0999 V2000 9.6798 -2.4739 -0.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 1.0023 1.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -0.5682 0.9973 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 -1.7489 0.4582 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1338 -1.2024 -0.4251 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8387 2.4046 -0.3103 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0256 4.5426 -0.5343 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5942 0.4960 0.2954 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 0.2442 -0.1212 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5399 -3.6345 0.6717 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3114 -1.9771 -0.8983 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6928 -3.7611 -0.2536 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2720 -0.0341 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0686 -1.0052 0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8777 -1.4839 -1.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1146 -0.0830 0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9653 -2.2311 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7779 -2.6992 -1.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7921 3.2888 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0273 3.1294 -0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 2.7269 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1857 1.1122 0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4881 4.5626 -0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4492 1.3376 0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7279 1.0543 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9263 1.5594 0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 0.7690 0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 3.5221 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8651 2.9292 0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7932 -1.1130 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -1.4253 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0974 -1.8171 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3682 -2.9691 0.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1161 -1.3626 -0.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4535 -3.0912 -0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 0.9048 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8323 -0.0376 -1.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5351 -0.8562 1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6947 -0.1210 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4897 -0.6167 -1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1862 -1.6937 -2.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5392 -1.0088 0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4727 -0.0989 1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7023 -2.0607 1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3888 -3.1241 1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1943 -3.6078 -1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3765 -2.8741 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 3.0805 0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 2.7648 -1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7959 1.1362 -0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7308 2.0437 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6422 4.9318 -1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9945 5.2448 -0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6226 4.5886 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 3.5496 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7178 0.6916 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2611 -2.4447 0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 -1.1326 -0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -1.4104 -0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6387 -3.4117 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.4854 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8470 -4.6026 0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4104 -3.3919 -0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 22 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 31 1 0 0 0 0 4 30 2 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 25 1 0 0 0 0 7 19 2 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 2 0 0 0 0 9 25 1 0 0 0 0 9 30 1 0 0 0 0 9 56 1 0 0 0 0 10 33 2 0 0 0 0 10 35 1 0 0 0 0 11 34 1 0 0 0 0 11 35 2 0 0 0 0 12 35 1 0 0 0 0 12 62 1 0 0 0 0 12 63 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 22 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 24 2 0 0 0 0 21 28 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 27 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 30 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 M END > DB12483 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PZBCKZWLPGJMAO-UHFFFAOYSA-N/SDF?record_type=3d > COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21 > InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) > PZBCKZWLPGJMAO-UHFFFAOYSA-N > C23H28N8O4 > 480.529 > 480.223351414 > 11 > 63 > 51.7138906861521 > 1 > 2 > 0 > 0 > 2-amino-N-{7-methoxy-8-[3-(morpholin-4-yl)propoxy]-2H,3H-imidazo[1,2-c]quinazolin-5-yl}pyrimidine-5-carboxamide > 1.02 > 0.3192440660000002 > -3.32 > 1 > 5 > 1 > 16.288325793983713 > 10.154568339100951 > 6.882748013697308 > 139.79 > 132.77859999999995 > 7 > 0 > 2.31e-01 g/l > [(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid > 0 $$$$