130420805 -OEChem-10052316303D 61 64 0 0 0 0 0 0 0999 V2000 -3.6853 1.4915 0.8177 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5183 -0.2089 0.6771 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -1.5911 0.2766 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -4.6513 0.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5658 -1.8093 -2.6277 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4241 2.5846 -0.2609 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7574 4.7791 -0.4103 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0326 0.7309 0.1701 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2765 0.3585 -0.1358 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0238 -1.8515 -0.3352 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5527 -3.8459 -0.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7882 -1.9065 0.2363 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8824 -3.9319 -0.2183 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6745 3.2503 -0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4322 3.5301 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 3.0347 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2334 4.7210 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 1.6388 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2159 1.2321 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 1.1321 0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0194 3.8956 0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4408 1.9888 0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 3.3638 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 0.5794 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 1.7184 -0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0619 -0.7838 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2866 -2.4982 0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -1.0045 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 -3.6781 1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 -0.6976 2.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6854 -2.2572 -1.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -1.7839 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1092 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6224 -1.2293 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6818 -3.1914 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 2.9094 -1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3937 3.1121 0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7404 5.3332 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4678 5.1313 -1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9096 4.9668 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1334 4.0349 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4871 0.7652 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1734 0.5740 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2399 1.7700 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1869 2.6686 0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 -0.9979 0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5819 -0.7778 -1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1868 0.7518 -0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3237 -2.8537 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1896 -1.7604 1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5662 -4.1382 2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 -3.3714 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3873 -3.0830 -1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5713 -1.7788 1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1699 -0.2418 2.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4109 -0.5014 2.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5193 -3.6425 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 -0.2059 0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9698 -5.3909 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8536 -4.9007 -0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7561 -3.4843 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 25 1 0 0 0 0 2 20 1 0 0 0 0 2 30 1 0 0 0 0 3 28 2 0 0 0 0 4 29 1 0 0 0 0 4 59 1 0 0 0 0 5 31 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 7 15 2 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 2 0 0 0 0 9 19 1 0 0 0 0 9 28 1 0 0 0 0 9 48 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 31 1 0 0 0 0 11 33 2 0 0 0 0 11 35 1 0 0 0 0 12 34 1 0 0 0 0 12 35 2 0 0 0 0 13 35 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 32 1 0 0 0 0 29 51 1 0 0 0 0 29 52 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 53 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 M END > DBMET03733 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GBAWZLUDIKNBLK-UHFFFAOYSA-N/SDF?record_type=3d > COC1=C(OCCCN(CCO)C=O)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21 > InChI=1S/C22H26N8O5/c1-34-18-16(35-10-2-6-29(13-32)8-9-31)4-3-15-17(18)27-22(30-7-5-24-19(15)30)28-20(33)14-11-25-21(23)26-12-14/h3-4,11-13,31H,2,5-10H2,1H3,(H2,23,25,26)(H,27,28,33) > GBAWZLUDIKNBLK-UHFFFAOYSA-N > C22H26N8O5 > 482.501 > 482.202615969 > 11 > 61 > 2.8810939135142433 > 50.71826775271797 > 1 > 3 > 0 > 0 > 2-amino-N-(8-{3-[N-(2-hydroxyethyl)formamido]propoxy}-7-methoxy-2H,3H-imidazo[1,2-c]quinazolin-5-yl)pyrimidine-5-carboxamide > -1.1017285313333338 > 1 > 1 > 4 > 0 > 15.49797327424592 > 10.155106499017561 > 7.381165193619321 > 167.85999999999999 > 129.7771 > 9 > 0 > 2-amino-N-(8-{3-[N-(2-hydroxyethyl)formamido]propoxy}-7-methoxy-2H,3H-imidazo[1,2-c]quinazolin-5-yl)pyrimidine-5-carboxamide > 0 $$$$