10200813 -OEChem-10051722433D 49 52 0 0 0 0 0 0 0999 V2000 7.0829 -3.6546 -1.0370 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 4.1366 0.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1008 2.0723 -1.7095 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6945 -1.2380 -1.3148 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3995 -2.7943 -1.1734 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 2.4787 -0.5017 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 1.3832 0.5534 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1122 -2.2685 0.6966 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2751 1.2612 0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9106 2.6891 0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 0.4237 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 3.3279 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 1.1057 -0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2069 0.6053 1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9764 -0.5348 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 3.0062 -0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4454 -1.8170 0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2082 -0.2901 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6556 2.0900 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1591 -2.8741 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 -1.3472 -0.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3975 -2.6392 -0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0763 0.4306 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8292 0.1363 -0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -0.1840 1.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -0.7987 -0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0658 -1.4062 0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3323 -1.1291 2.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4953 -2.1711 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7862 1.3374 -0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4649 2.6646 1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8126 3.3091 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2368 -0.5652 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5038 0.2733 0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6291 4.3176 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3868 3.4639 -1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4661 1.1670 -1.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1192 0.5071 -1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 0.2614 2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9279 1.3409 1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4874 -2.0158 1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6249 0.7127 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7523 -3.8806 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8859 -1.1646 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 1.5557 1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 0.5742 -1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 0.0652 2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5293 -1.6150 2.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5231 -2.8648 1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 16 2 0 0 0 0 3 19 2 0 0 0 0 4 26 1 0 0 0 0 4 29 1 0 0 0 0 5 29 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 19 1 0 0 0 0 7 23 1 0 0 0 0 7 45 1 0 0 0 0 8 27 1 0 0 0 0 8 29 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 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 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 18 21 2 0 0 0 0 18 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 28 2 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 48 1 0 0 0 0 M END > DB12260 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GKGRZLGAQZPEHO-UHFFFAOYSA-N/SDF?record_type=3d > FC1=CC=C(CC2CCN(CC2)C(=O)C(=O)NC2=CC=C3NC(=O)OC3=C2)C=C1 > InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28) > GKGRZLGAQZPEHO-UHFFFAOYSA-N > C21H20FN3O4 > 397.406 > 397.143784299 > 4 > 49 > 39.05351266863923 > 1 > 2 > 0 > 1 > 2-{4-[(4-fluorophenyl)methyl]piperidin-1-yl}-2-oxo-N-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)acetamide > 2.90 > 3.027800450666666 > -4.61 > 0 > 4 > 0 > 11.426518307064763 > 9.509949915056461 > -1.9961658850496793 > 87.74000000000001 > 106.14070000000001 > 4 > 1 > 9.73e-03 g/l > radiprodil > 0 $$$$