23653530 -OEChem-10051721143D 45 46 0 0 0 0 0 0 0999 V2000 -2.9405 -2.4242 1.3052 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9344 2.3531 -0.3579 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -1.0779 -0.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0785 -0.4850 0.5511 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3123 2.7823 0.3424 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 0.6231 -0.0499 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5965 -2.2492 -1.4751 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5919 -2.1257 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7452 -0.0282 -0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5377 0.8389 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3711 -0.2404 -0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2197 1.0328 0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 -3.4225 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9871 -2.2411 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 1.5636 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8106 0.0137 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2646 1.2602 -0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 2.1240 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4245 -0.2833 0.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3104 1.8394 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4101 2.3361 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7199 -0.7928 0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6059 1.3300 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6075 -1.1118 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0084 -1.6150 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9031 -1.9095 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9585 -1.2396 -0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8083 -3.6800 -1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1487 -4.2522 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1405 -3.3244 -0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0374 -3.0373 1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2801 -1.2976 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7289 -2.4452 0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8716 -0.3444 -0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3342 1.4314 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4426 3.0063 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 -0.9245 0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1561 2.8649 -0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8161 3.3388 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9642 -1.9480 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6383 -0.3912 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6395 -0.7832 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9718 -2.3293 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5518 -2.5334 -1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6622 -1.5743 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 16 1 0 0 0 0 4 24 1 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 34 1 0 0 0 0 7 25 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 17 2 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 18 21 2 0 0 0 0 18 36 1 0 0 0 0 19 22 1 0 0 0 0 19 37 1 0 0 0 0 20 23 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END > DB08072 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AYKUIRSGEMLIFT-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)OC1=CC(NC(=O)C2=CC(Cl)=C(OCCN)C(Cl)=C2)=CC=C1 > InChI=1S/C18H20Cl2N2O3/c1-11(2)25-14-5-3-4-13(10-14)22-18(23)12-8-15(19)17(16(20)9-12)24-7-6-21/h3-5,8-11H,6-7,21H2,1-2H3,(H,22,23) > AYKUIRSGEMLIFT-UHFFFAOYSA-N > C18H20Cl2N2O3 > 383.269 > 382.08509793 > 4 > 45 > 0.9947753947411796 > 39.36265392358223 > 1 > 2 > 0 > 1 > 4-(2-aminoethoxy)-3,5-dichloro-N-[3-(propan-2-yloxy)phenyl]benzamide > 4.06 > 3.9342766136666665 > -5.44 > 0 > 1 > 2 > 1 > 14.254550779858922 > 9.279676200470153 > 73.58 > 101.2447 > 7 > 1 > 1.38e-03 g/l > biotin > 0 $$$$