16118392 -OEChem-10051722383D 83 88 0 0 0 0 0 0 0999 V2000 -2.7995 1.5878 -2.4040 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2713 -6.7680 0.6528 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8341 0.1865 1.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8914 -2.8750 -1.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 4.1771 -0.2239 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9098 5.3256 0.4231 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5962 -1.7901 -0.2228 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4267 2.1241 0.8347 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -4.4915 -0.6273 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5428 0.5108 -0.5306 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2512 -2.9102 0.5124 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4686 3.4132 0.5744 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 5.5258 -0.4716 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9663 -1.4357 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1628 -1.3349 -1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3102 -1.8957 0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4155 -0.5803 0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4436 -0.1558 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9752 -2.4893 -0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 -0.2816 0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1202 0.6062 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9254 -2.9353 0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0224 -2.0762 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7365 1.0330 1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 1.9061 0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.2051 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2139 -3.3469 -1.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8425 3.3163 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 -5.7022 -1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 1.7166 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2352 -3.8951 0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0107 2.2373 -1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0942 2.4017 0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6024 -4.2009 1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8668 -4.5602 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6101 4.4717 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3519 3.4431 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4353 3.6076 1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 -5.1716 1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 -5.5310 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5642 4.1283 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 -5.8366 0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2673 4.3570 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 5.3906 0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0714 6.4919 -0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2867 6.5112 -0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2822 -2.0242 -1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5880 -0.3559 -1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8620 -1.3008 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4941 -2.9605 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8697 -0.7218 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4069 -0.2231 -0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4269 -1.0518 1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2071 0.4836 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7653 0.7199 -1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -3.1023 1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8423 -2.7915 0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -1.2886 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5447 -2.1797 0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 0.9623 2.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6734 1.1975 1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3340 2.7420 0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3126 1.8603 1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -4.0933 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 -5.0410 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -3.5479 -1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8341 -3.1815 -2.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3378 0.0744 -1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4629 -2.4754 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 -5.6072 -2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7899 -5.9368 -1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2613 -6.5624 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9858 2.6696 1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7521 2.0625 1.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8799 -3.6899 2.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3104 -4.3777 -1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 3.8361 -1.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 4.1380 2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 -5.4097 2.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 -6.0495 -1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 3.4943 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7109 7.3123 -0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 7.3472 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 42 1 0 0 0 0 3 18 2 0 0 0 0 4 19 2 0 0 0 0 5 28 2 0 0 0 0 6 41 1 0 0 0 0 6 44 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 28 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 29 1 0 0 0 0 10 18 1 0 0 0 0 10 30 1 0 0 0 0 10 68 1 0 0 0 0 11 19 1 0 0 0 0 11 31 1 0 0 0 0 11 69 1 0 0 0 0 12 28 1 0 0 0 0 12 36 1 0 0 0 0 12 73 1 0 0 0 0 13 36 2 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 20 24 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 25 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 26 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 27 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 32 37 1 0 0 0 0 33 38 2 0 0 0 0 33 74 1 0 0 0 0 34 39 1 0 0 0 0 34 75 1 0 0 0 0 35 40 2 0 0 0 0 35 76 1 0 0 0 0 36 43 1 0 0 0 0 37 41 2 0 0 0 0 37 77 1 0 0 0 0 38 41 1 0 0 0 0 38 78 1 0 0 0 0 39 42 2 0 0 0 0 39 79 1 0 0 0 0 40 42 1 0 0 0 0 40 80 1 0 0 0 0 43 44 2 0 0 0 0 43 81 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 82 1 0 0 0 0 46 83 1 0 0 0 0 M END > DB11977 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UQRCJCNVNUFYDX-UHFFFAOYSA-N/SDF?record_type=3d > CN1CCN(CC1)C1CCN(CC1)C(=O)NC1=CC(OC2=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C(F)=C2)=CC=N1 > InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45) > UQRCJCNVNUFYDX-UHFFFAOYSA-N > C33H37F2N7O4 > 633.701 > 633.287509025 > 6 > 83 > 64.23133796383514 > 1 > 3 > 0 > 0 > N'1-{2-fluoro-4-[(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide > 3.19 > 3.5606800343333322 > -4.20 > 1 > 6 > 1 > 11.977406348451689 > 11.375384741167267 > 8.261068756065356 > 119.13999999999999 > 172.48019999999997 > 8 > 0 > 4.03e-02 g/l > N'1-[2-fluoro-4-({2-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonylamino]pyridin-4-yl}oxy)phenyl]-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide > 0 $$$$