25134257 -OEChem-10051721033D 40 43 0 0 0 0 0 0 0999 V2000 -2.4587 1.9910 -0.6866 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6335 -1.9858 0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7822 2.9856 0.6666 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0848 0.2247 0.1429 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3166 -0.1247 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -1.3115 0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2465 0.8653 -0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 0.8458 0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 -1.0992 0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6601 -0.0056 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5364 -2.4463 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3489 0.0713 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 0.6623 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 2.2114 0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4569 -1.1407 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8997 -2.3508 0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2647 1.2637 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7285 2.0280 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5845 2.8027 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7971 -0.1412 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -0.2996 -1.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4141 -0.7564 0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4697 -1.0733 -1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5594 -1.5290 0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 -1.6877 -0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1082 -3.3772 0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 -0.9876 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 -1.1075 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5398 -3.2200 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1211 2.0642 -0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8206 1.5594 -1.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3437 1.1624 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7046 2.5045 0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6911 3.8654 0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8566 0.1731 -2.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0158 -0.6433 1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5031 3.9026 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8805 -1.1969 -2.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 -2.0075 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9787 -2.2897 -0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 9 2 0 0 0 0 3 14 1 0 0 0 0 3 37 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END > DB07507 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ROMNEYAQUBNRLR-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C2C(=O)N(C(=O)C2=CC=C1)C1=CC(=CC=C1O)C1=CC=CC=C1 > InChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3 > ROMNEYAQUBNRLR-UHFFFAOYSA-N > C21H15NO3 > 329.3487 > 329.105193351 > 3 > 40 > -0.06565858655912346 > 35.285915931077405 > 1 > 1 > 0 > 1 > 2-{4-hydroxy-[1,1'-biphenyl]-3-yl}-4-methyl-2,3-dihydro-1H-isoindole-1,3-dione > 3.79 > 4.432138982333335 > -4.74 > 0 > 0 > 4 > 0 > 8.153214061706265 > -1.942328348935693 > 57.61 > 96.1474 > 2 > 1 > 5.99e-03 g/l > biotin > 0 $$$$