135390808 -OEChem-10052315453D 58 62 0 0 0 0 0 0 0999 V2000 -0.9337 3.9606 -2.4013 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8751 -4.4058 -1.7533 F -1 0 0 0 0 0 0 0 0 0 0 0 -0.1051 4.7707 0.7273 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5848 1.0152 1.2519 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7938 -4.2490 -0.7805 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.9126 0.1129 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2882 1.1909 0.8515 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3399 -0.8461 0.0618 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5158 -2.1053 -0.4007 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4353 3.4835 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 1.6029 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1613 2.4982 1.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0191 0.6181 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 3.6461 0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 0.5656 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2553 3.0354 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6235 -0.7382 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0275 2.2653 0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2122 1.6822 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 0.8582 1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 3.2224 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2057 -0.5395 0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 1.8694 -1.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 2.6395 -2.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -1.4961 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8957 -0.8041 -1.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4364 -1.9112 0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2925 -2.7861 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8705 -1.1570 1.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9804 -2.0429 -1.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5211 -3.1501 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 -3.1203 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -3.7468 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 -3.2159 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8604 -2.1155 1.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0654 -3.4070 0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2642 4.4269 1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 3.7022 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 1.7624 -1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 1.1936 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 2.3432 2.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1433 2.8954 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1662 -0.3306 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4105 0.4173 1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 2.1373 1.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6268 0.8420 2.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0247 1.3281 1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5491 1.4306 -1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1748 2.7869 -3.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0425 0.1039 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2233 -1.8712 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 -0.1809 1.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -2.0946 -2.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -4.0635 0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4228 -4.7581 0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4264 -2.2736 -0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0863 -1.8566 1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 -4.1491 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 34 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 32 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 22 2 0 0 0 0 9 32 1 0 0 0 0 9 56 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 2 0 0 0 0 17 26 2 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 26 30 1 0 0 0 0 26 50 1 0 0 0 0 27 31 2 0 0 0 0 27 51 1 0 0 0 0 28 32 1 0 0 0 0 28 33 2 0 0 0 0 29 35 1 0 0 0 0 29 52 1 0 0 0 0 30 34 2 0 0 0 0 30 53 1 0 0 0 0 31 34 1 0 0 0 0 31 54 1 0 0 0 0 33 36 1 0 0 0 0 33 55 1 0 0 0 0 35 36 2 0 0 0 0 35 57 1 0 0 0 0 36 58 1 0 0 0 0 M ISO 1 2 18 M END > DB18657 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LTZZZXXIKHHTMO-GLOFJIOZSA-N/SDF?record_type=3d > FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCN(CC1)C(=O)C1=CC=C([18F])C=C1 > InChI=1S/C27H22F2N4O3/c28-19-8-6-18(7-9-19)26(35)32-11-13-33(14-12-32)27(36)22-15-17(5-10-23(22)29)16-24-20-3-1-2-4-21(20)25(34)31-30-24/h1-10,15H,11-14,16H2,(H,31,34)/i28-1 > LTZZZXXIKHHTMO-GLOFJIOZSA-N > C27H22F2N4O3 > 487.497 > 487.168531414 > 4 > 58 > 1.5929092898335644 > 48.076679654995 > 1 > 1 > 0 > 0 > 4-[(4-fluoro-3-{4-[4-(18F)fluorobenzoyl]piperazine-1-carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one > 3.180958574666667 > 0 > 0 > 5 > 0 > 9.962529272672535 > 0.8440756003633745 > 82.08000000000001 > 131.01459999999997 > 4 > 1 > 4-[(4-fluoro-3-{4-[4-(18F)fluorobenzoyl]piperazine-1-carbonyl}phenyl)methyl]-2H-phthalazin-1-one > 0 $$$$