46213929 -OEChem-10051722573D 58 62 0 0 0 0 0 0 0999 V2000 -5.8824 2.9621 1.9229 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 3.9880 0.0267 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2146 -0.5952 -0.5265 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6176 -0.2199 0.5765 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3882 0.3619 -0.3299 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1334 1.7235 -0.0865 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4093 -0.7310 -0.2358 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -2.8886 0.6038 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 -2.3112 -0.6177 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7591 -3.0190 -0.8466 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5805 -0.4898 1.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8127 0.3524 1.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 -1.4453 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2133 -0.5490 0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 0.5302 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8842 0.6141 0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0652 -1.1419 -1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 1.5209 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4673 -1.6603 1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1577 2.3417 -0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 1.7236 -1.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -1.7282 0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 2.0383 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3576 3.7109 -1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 3.1695 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4986 1.1929 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 -3.1491 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4405 3.4552 0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5787 1.4784 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5322 -4.3822 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5497 2.6097 0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7451 -4.2661 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8771 -5.1967 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8102 -1.3911 2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 0.3316 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5671 1.2997 1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2056 -0.3365 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3343 -2.2133 0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 -1.8512 -0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7960 0.9848 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5609 1.3694 -0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 -0.4464 -1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3738 -2.0649 -1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8155 -2.5310 1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 2.5424 -2.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4392 0.8356 -2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1879 4.4370 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 3.8391 -1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6872 3.9518 -2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1724 -3.6285 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5398 0.3146 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4036 4.3402 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4370 0.8115 0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1681 -5.2388 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -2.5860 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6738 -6.1429 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0714 -5.4198 -1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 -4.7680 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 25 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 6 15 2 0 0 0 0 6 20 1 0 0 0 0 7 22 2 0 0 0 0 8 22 1 0 0 0 0 8 27 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 27 2 0 0 0 0 10 32 1 0 0 0 0 10 55 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 17 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 51 1 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 32 33 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END > DB13040 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SQSZANZGUXWJEA-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC(NC2=NN3C(CC4=CC=C(Cl)C=C4F)=C(C)N=C3C(CN3CCOCC3)=C2)=NN1 > InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30) > SQSZANZGUXWJEA-UHFFFAOYSA-N > C23H25ClFN7O > 469.95 > 469.1793143 > 6 > 58 > 49.208565806124795 > 1 > 2 > 0 > 0 > N-{3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-8-[(morpholin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-yl}-5-methyl-1H-pyrazol-3-amine > 4.05 > 4.242459559 > -4.51 > 1 > 5 > 0 > 17.47684846298211 > 12.561308615713127 > 5.742218031966392 > 83.37 > 138.72249999999997 > 6 > 1 > 1.44e-02 g/l > N-{3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-yl}-5-methyl-1H-pyrazol-3-amine > 0 $$$$