4199 -OEChem-10051719233D 44 46 0 0 0 0 0 0 0999 V2000 7.0371 -1.3829 0.3744 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6786 0.0234 -0.3747 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.2363 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5081 -0.4101 -0.2506 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -0.7789 -0.2608 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 -1.0653 0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 0.6828 -0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 0.9870 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7754 -2.0509 0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0913 -0.3443 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2576 0.2954 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 0.8816 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1336 1.8395 0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4655 1.4644 0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7634 0.1467 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 3.2528 0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1232 -0.3318 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1622 0.5283 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4091 -1.6583 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4777 0.0653 -0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7245 -2.1214 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7587 -1.2596 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 -1.6562 0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7424 -0.6666 1.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1584 1.1623 0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0435 1.4571 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7124 1.4486 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6566 1.7997 -0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7888 -2.8291 1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6538 -2.5473 -0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0133 -0.7814 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0729 0.1342 -0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1357 -0.1202 -1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1415 -0.5151 0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4359 2.0906 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2314 2.1957 0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1666 3.6807 -0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 3.8872 0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2107 3.3132 1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9861 1.5602 -0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 -2.3534 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2828 0.7343 -0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9441 -3.1524 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7827 -1.6204 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 12 2 0 0 0 0 5 15 2 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 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 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 M END > DB00805 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LDMWSLGGVTVJPG-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1 > InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20) > LDMWSLGGVTVJPG-UHFFFAOYSA-N > C17H22N4O > 298.3828 > 298.179361346 > 5 > 44 > 0.1607762985684067 > 33.81999320571822 > 1 > 1 > 0 > 1 > 4-methyl-N-[2-(morpholin-4-yl)ethyl]-6-phenylpyridazin-3-amine > 2.15 > 2.1896802423333326 > -3.63 > 0 > 0 > 3 > 0 > 19.25458980612889 > 6.277661403079943 > 50.28 > 91.17070000000001 > 5 > 1 > 7.01e-02 g/l > tetrahydrofolic acid > 0 $$$$