24771824 -OEChem-10051722393D 53 56 0 0 0 0 0 0 0999 V2000 -4.4927 5.0211 -0.7508 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9194 4.6099 1.3001 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 4.5788 -0.2728 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1241 -1.3360 -1.2073 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5204 -1.2834 -0.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8619 -1.4508 -0.7357 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 0.3700 0.0294 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4677 0.8650 -0.2706 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5400 1.6776 -0.0709 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3983 0.4640 0.3312 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0354 -3.7891 -0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -1.9593 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7158 -2.7147 -1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -0.9134 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7426 -3.2598 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 -3.8814 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 -0.8382 -0.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 -3.4202 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 -2.5594 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -3.8443 1.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 -2.1230 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2692 1.2200 0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 -3.4078 2.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1907 -2.5472 1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0751 2.3800 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3354 0.0787 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 3.2066 1.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1045 0.9582 -1.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9435 2.7561 -0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8988 2.3208 -1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3789 2.8184 0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2264 1.7961 0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7017 4.2065 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6896 -4.0739 0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8758 -4.6869 -1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 -2.1484 1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 -1.5391 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6877 -3.0839 -1.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 -2.4960 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9839 -0.6258 -1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7342 -0.0196 0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4775 -4.8160 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 0.7232 0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 -2.2251 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5666 -4.5153 2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7447 -3.7381 3.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1487 -2.2123 1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1051 2.6514 1.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0712 4.1297 1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8453 0.6020 -2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4908 3.0286 -1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2703 3.4221 0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4681 2.0754 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 17 2 0 0 0 0 5 21 1 0 0 0 0 5 26 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 22 2 0 0 0 0 9 31 2 0 0 0 0 10 26 2 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 20 45 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 27 31 1 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 M END > DB12012 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BATCTBJIJJEPHM-UHFFFAOYSA-N/SDF?record_type=3d > FC(F)(F)C1=CC=C(OC2=CC=CC(C=C3CCN(CC3)C(=O)NC3=CC=CN=N3)=C2)N=C1 > InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32) > BATCTBJIJJEPHM-UHFFFAOYSA-N > C23H20F3N5O2 > 455.441 > 455.156909393 > 4 > 53 > 43.221081211971054 > 1 > 1 > 0 > 1 > N-(pyridazin-3-yl)-4-[(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]piperidine-1-carboxamide > 3.77 > 3.8695770843333337 > -4.39 > 0 > 4 > 0 > 11.22545364573884 > 1.3806541878702 > 80.24 > 120.0187 > 5 > 1 > 1.86e-02 g/l > N-(pyridazin-3-yl)-4-[(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]piperidine-1-carboxamide > 0 $$$$