4906 -OEChem-10051719223D 36 36 0 1 0 0 0 0 0999 V2000 -0.7432 1.2197 -1.5006 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0836 0.5844 0.0671 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2729 0.5688 0.5128 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9849 1.4148 0.5546 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7637 -0.8284 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9165 -1.6853 -0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7594 1.0588 -0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 2.8864 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 0.1382 0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4719 -0.3248 1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6156 -3.1684 -0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8644 0.1924 -1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 -0.7448 0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1507 -0.3882 2.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 -0.2276 -1.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0558 -0.6961 -0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8136 1.2109 1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8747 -1.1089 -0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -1.0743 1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9348 0.7988 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8366 -1.4519 0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1059 -1.4639 -1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5723 3.1541 -0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 3.1316 1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5289 3.5218 0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0941 0.5067 1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7212 -3.4478 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -3.4309 0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4537 -3.7649 -0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 0.5381 -2.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 -1.1128 1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9914 -0.7787 3.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9249 0.6104 2.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2986 -1.0527 2.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3777 -0.1908 -2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0356 -1.0232 -1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 M END > DB00750 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MVFGUOIZUNYYSO-UHFFFAOYSA-N/SDF?record_type=3d > CCCNC(C)C(=O)NC1=CC=CC=C1C > InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16) > MVFGUOIZUNYYSO-UHFFFAOYSA-N > C13H20N2O > 220.3107 > 220.157563272 > 2 > 36 > 0.984950674152741 > 25.976297247794356 > 1 > 2 > 0 > 1 > N-(2-methylphenyl)-2-(propylamino)propanamide > 1.87 > 2.6809227156666666 > -2.83 > 0 > 1 > 1 > 1 > 13.50908150554251 > 8.815906516402368 > 41.13 > 67.86300000000001 > 5 > 1 > 3.26e-01 g/l > tetrahydrofolic acid > 0 $$$$