56960363 -OEChem-05201910313D 65 68 0 1 0 0 0 0 0999 V2000 4.6562 2.5168 -2.1927 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1349 -0.6244 1.5068 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5195 4.6726 -0.3993 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.2946 0.0810 2.6331 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 -1.2683 -0.1869 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6427 0.2924 0.7202 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6701 0.7208 0.4159 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5846 0.9850 -1.6903 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6785 -1.6186 0.3564 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5734 -2.9581 -0.2169 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -3.7183 -0.5221 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -3.9553 -0.8281 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2920 0.3376 -1.9493 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0312 0.7440 -0.3120 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9958 1.2771 0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2210 0.8493 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8767 0.6057 -3.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3830 1.4199 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9189 0.1890 1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5578 -0.2813 1.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 -1.6048 0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 0.5967 1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -2.0504 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1865 0.1512 1.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9717 -1.1724 0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5645 -0.1759 -1.0773 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9259 1.0517 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5164 -0.8886 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6573 -0.5540 -2.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 -1.6557 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0928 -1.8232 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 2.3160 -0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6420 0.9209 0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 -1.0496 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8841 -3.1516 -0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8784 3.4495 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9764 2.0543 1.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5944 3.3185 1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1605 -0.3360 -0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4092 -0.7465 -1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9040 2.3684 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2845 0.3128 -1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0167 1.9147 -1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3065 1.0466 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4986 1.9894 -1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1305 1.0331 -0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7504 1.2316 0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3193 2.5052 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9288 0.1063 -3.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6288 0.2261 -4.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7465 1.6769 -3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1764 -2.2968 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6374 1.6300 1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8973 -3.0844 0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4056 0.8906 1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -2.5971 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6539 -0.0048 -1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5933 -0.8084 -1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8639 0.2567 -2.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3624 -1.4422 -2.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 -0.0031 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 1.9698 2.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8545 4.2012 1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8266 -4.9241 -1.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8237 -3.5067 -1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 3 36 1 0 0 0 0 4 19 2 0 0 0 0 5 26 1 0 0 0 0 5 31 1 0 0 0 0 6 28 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 45 1 0 0 0 0 9 25 1 0 0 0 0 9 28 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 30 2 0 0 0 0 11 35 2 0 0 0 0 12 35 1 0 0 0 0 12 64 1 0 0 0 0 12 65 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 15 41 1 0 0 0 0 15 44 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 22 24 2 0 0 0 0 22 53 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 26 57 1 0 0 0 0 27 32 1 0 0 0 0 27 33 2 0 0 0 0 28 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 34 1 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 32 36 2 0 0 0 0 33 37 1 0 0 0 0 34 61 1 0 0 0 0 36 38 1 0 0 0 0 37 38 2 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 M END > DB14860 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GLYMPHUVMRFTFV-QLFBSQMISA-N/SDF?record_type=3d > C[C@@H](OC1=CC(=NN=C1N)C(=O)NC1=CC=C(C=C1)C(=O)N1C[C@H](C)N[C@H](C)C1)C1=C(Cl)C=CC(F)=C1Cl > InChI=1S/C26H27Cl2FN6O3/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36)/t13-,14+,15-/m1/s1 > GLYMPHUVMRFTFV-QLFBSQMISA-N > C26H27Cl2FN6O3 > 561.44 > 560.1505723 > 7 > 65 > 57.07825968807862 > 1 > 3 > 0 > 0 > 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-{4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl}pyridazine-3-carboxamide > 3.35 > 3.948452426666668 > -4.95 > 1 > 4 > 1 > 18.314729972216462 > 13.81684262333371 > 7.995266900610609 > 122.46999999999998 > 147.72519999999994 > 6 > 0 > 6.37e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$