24864821 -OEChem-10051721143D 46 50 0 0 0 0 0 0 0999 V2000 0.2297 2.7213 0.3985 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -2.3502 1.0345 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4997 1.2750 0.0227 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 0.1768 -0.3304 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0607 3.3662 0.3629 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1183 2.5684 0.7505 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0662 1.9633 -0.9803 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1028 2.5772 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7588 2.9895 -0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1218 1.2307 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7727 1.3156 0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 2.4495 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4205 -0.9455 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4271 1.0268 -0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4273 0.0857 0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 -2.2216 -0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 -1.0540 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4847 0.2312 0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0529 -0.1842 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 3.4165 -0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4196 -1.1781 0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.9704 1.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4227 3.1261 -1.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0337 -3.3850 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -2.2557 -1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4005 -4.5825 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1898 -3.4532 -1.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4785 -4.6166 -1.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3581 -3.3228 1.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5486 2.4532 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7681 4.0649 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4344 0.0737 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3026 -2.0054 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 0.3770 1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0606 -0.3656 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6927 4.3732 -1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5817 -1.6949 1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9854 3.8445 -1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 -3.3959 1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5866 -1.3631 -2.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6184 -5.4869 0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5281 -3.4799 -2.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0163 -5.5484 -1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -4.1909 1.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -3.6673 1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1453 -2.9581 2.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 21 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 6 11 2 0 0 0 0 7 14 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 12 20 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 24 2 0 0 0 0 16 25 1 0 0 0 0 17 33 1 0 0 0 0 18 22 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 28 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M END > DB08079 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HEAIZQNMNCHNFD-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC2=NC=CC(OCC3=NN=C4C=CC(=NN34)C3=CC=CC=C3)=C2C=C1 > InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3 > HEAIZQNMNCHNFD-UHFFFAOYSA-N > C22H17N5O2 > 383.4027 > 383.138224813 > 6 > 46 > 0.1291441804377421 > 40.71961055016605 > 1 > 0 > 0 > 1 > 7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methoxy)quinoline > 3.66 > 3.3655483416666674 > -4.52 > 0 > 0 > 5 > 0 > 6.171128313744526 > 74.43 > 119.54130000000002 > 5 > 1 > 1.15e-02 g/l > tetrahydrofolic acid > 0 $$$$