9549223 -OEChem-10051720523D 41 42 0 0 0 0 0 0 0999 V2000 1.8793 1.9141 0.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6487 -0.6814 0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 0.0195 -0.5974 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 -0.2660 -0.4823 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4629 0.0508 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9954 -0.1738 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2598 -0.5922 0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3612 -1.1438 -0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2566 0.5863 0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7972 1.4722 -0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2311 -0.2462 1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9884 -1.3538 -0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8838 0.3764 0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7823 -0.8185 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6413 0.3732 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2372 0.7438 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6291 1.3349 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.9429 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9758 0.9804 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3468 -1.2973 0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3347 -0.3358 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8568 -0.6403 -0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9215 -1.7446 -1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7297 1.3474 1.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5107 2.2360 0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8726 1.5722 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2752 1.6928 -1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0215 -1.2624 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3110 -0.1633 0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9615 0.4491 1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 -2.1109 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3179 0.9754 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4852 -0.6185 1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5645 -1.8811 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -0.1935 -1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 -1.2027 -0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3707 2.3648 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 -1.7152 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7360 1.7387 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6207 -2.3226 0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1926 0.1061 0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 21 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 3 35 1 0 0 0 0 4 16 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 8 23 1 0 0 0 0 9 13 2 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 M END > DB06884 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MFDXHRPPSJRQFX-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)C1=CC=C(CNNC(=O)C2=CC=C(O)C=C2)C=C1 > InChI=1S/C17H20N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-10,12,18,20H,11H2,1-2H3,(H,19,21) > MFDXHRPPSJRQFX-UHFFFAOYSA-N > C17H20N2O2 > 284.3529 > 284.152477894 > 3 > 41 > -0.03787569555764692 > 32.421401687395104 > 1 > 3 > 0 > 1 > 4-hydroxy-N'-{[4-(propan-2-yl)phenyl]methyl}benzohydrazide > 2.48 > 3.4170034293333345 > -4.23 > 0 > 0 > 2 > 0 > 15.483910506519514 > 8.40288182278535 > 3.2241628338605954 > 61.36 > 94.73230000000001 > 5 > 1 > 1.69e-02 g/l > biotin > 0 $$$$