5593 -OEChem-10051719233D 41 42 0 1 0 0 0 0 0999 V2000 -1.4677 -2.0386 -1.4039 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0917 -2.7753 1.0543 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4334 -1.6076 -0.1592 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1318 1.7811 -0.2379 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8106 -0.7579 0.6030 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9402 -1.5203 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1317 -1.0253 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 0.7059 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2744 -2.3936 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2073 -1.3926 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1855 -0.0394 0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 1.6424 1.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9299 1.0583 -1.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3744 -3.8349 -0.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8909 0.8931 -0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4366 -0.0773 1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 2.9859 0.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 2.4018 -1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 3.3655 -0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8947 1.7779 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3712 0.8509 0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.8580 1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5744 -1.8534 1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 -0.4948 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8388 -2.3747 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 -1.9591 -1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7871 -0.9045 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7727 -1.3105 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1565 1.3548 2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 0.3420 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8464 -3.9114 0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3846 -4.2985 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9739 -4.4162 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9251 0.9527 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6908 -0.7979 1.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4046 3.7363 1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0499 2.6978 -2.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3506 4.4115 -0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9952 -3.1271 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7236 2.5320 -1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3697 0.8710 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 10 1 0 0 0 0 2 39 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 20 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 13 18 2 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 15 20 1 0 0 0 0 15 34 1 0 0 0 0 16 21 2 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 M END > DB00809 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BGDKAVGWHJFAGW-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC1=CC=NC=C1)C(=O)C(CO)C1=CC=CC=C1 > InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 > BGDKAVGWHJFAGW-UHFFFAOYSA-N > C17H20N2O2 > 284.3529 > 284.152477894 > 3 > 41 > 0.010363825064079572 > 29.779730994423865 > 1 > 1 > 0 > 1 > N-ethyl-3-hydroxy-2-phenyl-N-[(pyridin-4-yl)methyl]propanamide > 1.42 > 1.3772273896666662 > -2.88 > 0 > 0 > 2 > 0 > 15.183162019438925 > 5.020044778744474 > 53.43 > 82.5347 > 6 > 1 > 3.75e-01 g/l > tetrahydrofolic acid > 0 $$$$