4920903 -OEChem-10051719213D 40 42 0 0 0 0 0 0 0999 V2000 -4.1770 -2.2397 -0.3452 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3113 0.2777 0.7793 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3612 2.3672 0.6402 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6965 2.4860 -0.8329 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0907 2.1282 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1863 1.5103 1.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9826 2.9884 -0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8345 3.0692 -1.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6765 -0.6973 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 0.2069 0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5481 -1.4056 -0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7421 -0.9136 1.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2771 -1.0326 0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 1.3805 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5913 -2.5860 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5121 -2.3564 -1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7061 -1.8645 0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 -1.1005 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7369 1.3125 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3467 0.0721 -0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6218 -3.6028 -0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 2.2267 1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7103 1.3215 2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8011 2.3575 -0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 3.9779 -0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 4.1017 -1.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0412 2.4802 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 2.1320 1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2522 2.3465 -1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2461 -1.2186 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8545 -0.3982 2.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7354 -1.9548 0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 2.3756 0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -2.9027 -2.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 -2.0381 1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3033 2.2251 -0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3929 0.0472 -0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -3.1350 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 -4.0622 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1883 -4.4119 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 11 30 1 0 0 0 0 12 17 2 0 0 0 0 12 31 1 0 0 0 0 13 18 1 0 0 0 0 13 32 1 0 0 0 0 14 19 2 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M CHG 2 1 -1 3 1 M END > DB00692 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MRBDMNSDAVCSSF-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=C(C=C1)N(CC1=NCCN1)C1=CC(O)=CC=C1 > InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) > MRBDMNSDAVCSSF-UHFFFAOYSA-N > C17H19N3O > 281.3523 > 281.152812245 > 4 > 40 > 0.9883674734533755 > 31.366165054874983 > 1 > 2 > 0 > 1 > 3-{[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino}phenol > 2.91 > 2.5151081762943854 > -3.02 > 0 > 1 > 3 > 1 > 9.779238140625477 > 9.018893958878193 > 47.86 > 84.25130000000001 > 4 > 1 > 2.72e-01 g/l > tetrahydrofolic acid > 0 $$$$