5459373 -OEChem-10051720403D 41 44 0 0 0 0 0 0 0999 V2000 5.0780 -0.6367 -0.6045 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0169 -2.0918 0.3983 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 1.0870 -0.0372 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 -0.2332 0.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 3.1378 -0.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1146 -3.4027 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0361 -4.3132 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2856 -2.8894 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 -2.9326 0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 -0.7607 0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 0.0367 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5406 1.9115 -0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3982 1.8500 0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8146 1.3313 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8825 1.3552 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7748 3.1058 -0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7848 0.8279 -0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2176 1.4040 1.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0225 0.3494 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 0.9255 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3579 0.3983 1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 -0.2016 -0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6062 -0.2588 -2.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6731 -3.6082 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -5.0876 -0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -4.5877 1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 -2.2172 0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6751 -2.7056 -1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3817 -2.4440 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4217 -3.8130 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -2.5130 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9492 -0.4534 -0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6384 1.9385 -1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1602 3.9919 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 0.8002 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 1.8112 2.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7162 0.9632 3.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3157 0.0315 1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4429 0.7495 -2.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 -0.8899 -2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4401 -0.7032 -2.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 10 2 0 0 0 0 5 12 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 14 2 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > DB04715 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IVUBNTNWKIPCPS-UHFFFAOYSA-N/SDF?record_type=3d > CC(=O)C1=CC=CC(=C1)C1=CN=C2C=CC(NCC3CC3)=NN12 > InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21) > IVUBNTNWKIPCPS-UHFFFAOYSA-N > C18H18N4O > 306.3617 > 306.148061218 > 4 > 41 > 0.0010490950441847313 > 33.91473328731384 > 1 > 1 > 0 > 1 > 1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}phenyl)ethan-1-one > 2.88 > 2.6256595560000004 > -4.27 > 0 > 0 > 4 > 0 > 15.980521972404507 > 4.021271125364428 > 59.29 > 101.6394 > 5 > 1 > 1.65e-02 g/l > tetrahydrofolic acid > 0 $$$$