24883486 -OEChem-10051721213D 41 43 0 1 0 0 0 0 0999 V2000 3.4734 1.3688 -0.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 1.7051 1.3575 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -1.1273 -1.6151 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9244 0.1364 0.7314 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5473 -2.1641 -2.4952 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4196 2.2690 -2.3993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0739 0.4265 0.0335 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7457 -1.0116 -0.8765 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3685 0.1332 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1825 0.6979 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 0.3861 -0.4336 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5905 0.4461 0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0534 -0.8674 0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 0.9310 0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2223 1.5783 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3242 -0.7941 -1.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6243 1.3304 1.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8518 -0.1429 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4407 1.8939 2.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 -1.3949 -1.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -0.7751 1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5373 -2.1172 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6748 -1.9324 1.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 -3.2744 0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 -3.1820 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3323 2.2542 -1.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4725 3.2268 -1.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 0.1305 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0791 -0.2180 -0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3726 2.0691 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5604 1.5936 2.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4716 2.5800 3.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5349 0.1859 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7047 -2.2040 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6164 -1.4127 -1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5049 -1.8607 2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -4.2475 0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5885 -4.0831 1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4765 3.7913 -0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3517 3.9283 -2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 2.6910 -1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 26 1 0 0 0 0 2 14 2 0 0 0 0 3 16 2 0 0 0 0 4 18 2 0 0 0 0 5 20 2 0 0 0 0 6 26 2 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 29 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 28 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 21 2 0 0 0 0 13 22 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 19 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 M END > DB08497 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NKBDSMREMMRFSI-INIZCTEOSA-N/SDF?record_type=3d > [H][C@@](OC(C)=O)(C(=O)NC1=CC=CC2=C1C(=O)C(=O)NC2=O)C1=CC=CC=C1 > InChI=1S/C19H14N2O6/c1-10(22)27-16(11-6-3-2-4-7-11)19(26)20-13-9-5-8-12-14(13)15(23)18(25)21-17(12)24/h2-9,16H,1H3,(H,20,26)(H,21,24,25)/t16-/m0/s1 > NKBDSMREMMRFSI-INIZCTEOSA-N > C19H14N2O6 > 366.3243 > 366.08518619 > 5 > 41 > -0.9685109163433329 > 34.92674958902448 > 1 > 2 > 0 > 1 > (S)-phenyl[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]methyl acetate > 1.91 > 2.001098930666666 > -4.46 > 0 > -1 > 3 > -1 > 12.117113057541717 > 5.513738931162028 > -7.002492129914741 > 118.64000000000001 > 94.33090000000004 > 5 > 1 > 1.26e-02 g/l > biotin > 0 $$$$