3948 -OEChem-10051719273D 44 46 0 1 0 0 0 0 0999 V2000 0.9191 -1.9713 -0.3670 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9091 2.5345 0.6021 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 2.3970 0.3805 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4466 1.6255 -0.5247 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9878 -0.4817 0.1802 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7743 -0.0474 0.1009 N 0 0 1 0 0 0 0 0 0 0 0 0 5.5823 -0.5238 0.2503 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9086 -1.4292 -0.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0426 0.3687 -0.7815 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7200 0.9974 -0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3006 -1.0404 1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6334 -1.5957 0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 0.2667 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0728 1.4527 -1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4624 -0.7323 -0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9157 -0.4508 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0052 1.5724 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 0.8848 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3502 1.8859 0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5192 -2.8120 -0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 1.2499 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2421 -1.0624 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7186 0.1654 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4249 -3.6209 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1677 0.3669 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8707 -0.2102 -1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9261 1.6733 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 1.5833 -1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 -1.8784 1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4344 -0.5663 2.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0630 -2.2557 1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4786 -2.2085 -0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7585 0.0107 1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0121 1.0105 -1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7049 2.1187 -1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2957 2.0653 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6478 2.9114 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3023 -3.2817 -1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 -2.9107 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9108 -1.8946 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6485 -3.2310 1.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3719 -3.6070 1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1826 -4.6637 0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4118 1.7993 -0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 3 21 2 0 0 0 0 4 25 1 0 0 0 0 4 44 1 0 0 0 0 5 25 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 33 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 37 1 0 0 0 0 20 24 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END > DB00978 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZEKZLJVOYLTDKK-UHFFFAOYSA-N/SDF?record_type=3d > CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N3CCNC(C)C3)C(F)=C12 > InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25) > ZEKZLJVOYLTDKK-UHFFFAOYSA-N > C17H19F2N3O3 > 351.3479 > 351.139447899 > 6 > 44 > 0.0371912662288085 > 34.71562433347266 > 1 > 2 > 0 > 0 > 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid > -0.00 > -0.42780901414013695 > -3.52 > 0 > 0 > 3 > 0 > 5.4513945397764525 > 8.783937607709731 > 72.88 > 90.11200000000001 > 3 > 1 > 1.06e-01 g/l > tetrahydrofolic acid > 0 $$$$