2145 -OEChem-10051719133D 33 34 0 1 0 0 0 0 0999 V2000 1.6753 0.9487 2.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -2.8786 -0.2494 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1927 -0.9355 0.8576 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7598 -0.7400 0.1873 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7478 0.8005 -0.1836 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4167 0.2690 -1.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8264 2.3450 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7311 0.3866 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -1.2501 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 0.3104 1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -1.7683 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2586 2.8191 -0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1681 -0.3530 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 0.7555 -1.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5085 -0.7282 1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9595 0.3804 -0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4042 -0.3615 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4508 0.6218 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 0.6085 -2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3962 2.7540 0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 2.7787 -1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0356 -1.5860 -2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4947 -1.7036 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 -1.2774 1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 2.3401 0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6347 2.7108 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2962 3.8936 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 -0.6620 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2979 1.3297 -1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8435 -1.3060 1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 0.6716 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4095 -0.4762 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0822 -1.2797 0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 24 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 12 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 17 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 M END > DB00357 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ROBVIMPUHSLWNV-UHFFFAOYSA-N/SDF?record_type=3d > CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1 > InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17) > ROBVIMPUHSLWNV-UHFFFAOYSA-N > C13H16N2O2 > 232.2783 > 232.121177766 > 3 > 33 > 0.0018706117094503393 > 24.69437825775207 > 1 > 2 > 0 > 1 > 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione > 1.49 > 1.2995443679999998 > -2.80 > 0 > 0 > 2 > 0 > 11.691994943069611 > 4.277498607689634 > 72.19 > 65.35430000000001 > 2 > 1 > 3.71e-01 g/l > tetrahydrofolic acid > 0 $$$$