487101 -OEChem-10051722373D 42 45 0 0 0 0 0 0 0999 V2000 1.3485 1.6272 -0.2405 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4475 -2.9314 0.0515 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5782 1.2410 2.3812 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 5.4757 0.2635 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7064 0.5658 0.3707 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4291 -4.1156 0.0891 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9127 -3.8846 -0.7538 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9779 -2.1460 0.2822 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -0.2122 -0.1114 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 -0.0164 -0.0631 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4167 2.1364 -1.1369 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4911 4.2698 -2.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 0.7365 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2197 0.7363 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7803 -0.5235 -0.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.8337 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1504 -0.1025 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 -0.7422 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3105 -2.2214 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -2.1535 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -2.8855 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3928 -2.8938 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5201 -0.7574 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6315 -2.0905 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 1.4115 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 1.9912 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9714 -2.6777 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6541 3.3757 1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5122 3.4793 -1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6316 4.1413 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3993 1.5924 -0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 0.3175 1.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 1.7050 0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6399 -0.5000 -1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2464 -1.4637 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8768 1.4015 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -3.9710 0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -0.1278 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7459 3.8569 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7941 -4.3113 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9638 5.1651 -2.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 3.7809 -3.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 19 1 0 0 0 0 3 26 1 0 0 0 0 4 30 1 0 0 0 0 5 13 1 0 0 0 0 5 36 1 0 0 0 0 6 22 2 0 0 0 0 7 27 1 0 0 0 0 7 40 1 0 0 0 0 8 27 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 18 1 0 0 0 0 10 23 1 0 0 0 0 10 25 1 0 0 0 0 11 25 1 0 0 0 0 11 29 2 0 0 0 0 12 29 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 18 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 26 28 1 0 0 0 0 28 30 2 0 0 0 0 28 39 1 0 0 0 0 29 30 1 0 0 0 0 M END > DB11943 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DYDCPNMLZGFQTM-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC(N2C=C(C(O)=O)C(=O)C3=CC(F)=C(N4CC(O)C4)C(Cl)=C23)=C(F)C=C1F > InChI=1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30) > DYDCPNMLZGFQTM-UHFFFAOYSA-N > C18H12ClF3N4O4 > 440.76 > 440.0499171 > 8 > 42 > 38.42258860869022 > 1 > 3 > 0 > 1 > 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid > 1.67 > 2.558647892 > -3.80 > 0 > 4 > -1 > 14.765368190007475 > 5.61770320158003 > -1.3271392739960501 > 119.99 > 101.3287 > 3 > 1 > 6.99e-02 g/l > delafloxacin > 0 $$$$