448167 -OEChem-10051721113D 42 45 0 0 0 0 0 0 0999 V2000 -5.5919 1.0438 2.5854 I 0 0 0 0 0 0 0 0 0 0 0 0 3.6168 -0.0219 0.3453 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4629 0.1431 -0.6168 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7074 -2.4102 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5242 -1.1496 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5609 -3.6742 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 -3.6308 0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6189 -2.4468 0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8755 -1.1548 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 0.0905 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 1.2729 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0272 1.1687 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3544 -0.9338 -0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0778 2.5332 -0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7683 2.3428 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7921 -0.4869 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 3.6919 -0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 3.5961 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3734 -0.0407 0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5164 -0.5279 -1.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7056 0.3728 0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8485 -0.1144 -1.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 0.3360 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 -2.5676 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -2.4809 -1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9371 -4.5605 -0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 -3.7682 -1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 -4.5624 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2861 -3.5470 1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2035 -2.6523 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 -2.3301 1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8285 0.9715 -1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2324 -1.3224 0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3649 -1.7059 -1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0283 2.6640 -0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8259 2.2940 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3856 4.6642 -0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7923 4.4944 0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -0.0105 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0648 -0.8722 -2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4224 -0.1420 -2.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4824 0.6539 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 9 2 0 0 0 0 2 12 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > DB07940 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZUCWQTWGZGIYPV-UHFFFAOYSA-N/SDF?record_type=3d > IC1=CC=CC(CNC2=C3CCCCC3=NC3=C2C=CC=C3)=C1 > InChI=1S/C20H19IN2/c21-15-7-5-6-14(12-15)13-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,22,23) > ZUCWQTWGZGIYPV-UHFFFAOYSA-N > C20H19IN2 > 414.2827 > 414.059292038 > 2 > 42 > 0.9868343060952979 > 39.439328883018135 > 1 > 1 > 0 > 1 > N-[(3-iodophenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine > 5.91 > 5.583266362 > -5.85 > 0 > 1 > 4 > 1 > 8.87480048401612 > 24.92 > 105.20660000000001 > 3 > 0 > 5.87e-04 g/l > tetrahydrofolic acid > 1 $$$$