5813717 -OEChem-10051722493D 37 39 0 0 0 0 0 0 0999 V2000 -1.6421 2.3163 -0.2979 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5696 -3.0604 0.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 2.7282 0.7228 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 0.2402 1.0666 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0248 0.9964 0.0419 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -1.4633 -0.1444 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2363 0.3383 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0375 0.5981 1.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 0.2764 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3822 0.3311 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 -1.0404 -0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6086 1.0971 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9624 0.7509 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8192 -1.0643 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7516 -0.3787 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -1.8400 0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4377 2.1391 -0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3641 -2.8433 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1419 -0.5738 -0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0834 0.3372 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5563 0.1150 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 -0.6622 -0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8832 1.0088 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5477 1.4426 1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -0.2153 1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6951 -1.6862 0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 2.1931 -1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6985 2.7609 -1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 -3.3728 0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 -3.2974 -1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 -2.9066 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5044 -1.5052 -0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8046 1.2847 0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 2.7812 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9837 0.8727 -0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7886 -0.8770 -0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1157 0.1126 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 16 2 0 0 0 0 3 17 1 0 0 0 0 3 34 1 0 0 0 0 4 21 1 0 0 0 0 4 37 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END > DB12593 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MXPOCMVWFLDDLZ-NSCUHMNNSA-N/SDF?record_type=3d > CN1C(\C=C\CO)=C(CO)C2=C1C(=O)C=C(N1CC1)C2=O > InChI=1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+ > MXPOCMVWFLDDLZ-NSCUHMNNSA-N > C15H16N2O4 > 288.303 > 288.111007003 > 5 > 37 > 30.28216431923878 > 1 > 2 > 0 > 0 > 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(1E)-3-hydroxyprop-1-en-1-yl]-1-methyl-4,7-dihydro-1H-indole-4,7-dione > 0.60 > -0.7986386896666668 > -1.78 > 0 > 3 > 0 > 14.65791851846534 > 13.47954068482634 > -2.5303854574426587 > 82.54 > 81.26930000000002 > 4 > 1 > 4.80e+00 g/l > apaziquone > 0 $$$$