5287447 -OEChem-01032015563D 75 78 0 1 0 0 0 0 0999 V2000 -2.8451 -1.3866 -0.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4134 0.8071 0.5355 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8374 -1.7793 0.9306 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7656 -3.5074 0.2817 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9487 0.5283 -0.5396 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4609 -4.1809 -2.7974 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0415 0.5562 1.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 -3.7470 2.5398 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0278 2.2954 -1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0957 6.1244 -0.7369 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.1962 5.7162 -0.2472 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0325 -2.1982 -0.8368 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2299 0.1127 1.0152 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6246 0.5049 0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 5.3299 -0.4293 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.4938 -1.3075 0.9764 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5374 -2.4735 1.2426 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9452 -0.0761 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1498 -0.6354 -0.3529 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0814 -2.0033 1.1287 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6703 -0.2450 -0.3935 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8762 -1.6049 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 0.5714 1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 -2.2268 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -3.5565 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9074 0.7414 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9643 0.3985 2.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 -3.1516 1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 -2.8604 -3.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 -4.1596 -1.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3524 0.2565 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4084 -0.0772 2.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2462 1.6680 -0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4254 1.6921 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1134 2.1412 -0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1212 1.2389 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 3.0476 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 3.4967 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7142 3.9499 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4398 -0.5735 1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7450 -2.9071 2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3349 0.1871 -0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3846 -1.3201 -1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8795 -1.2729 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4466 0.1094 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 -2.0534 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4473 -1.8227 1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 1.6673 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 0.3045 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9923 -1.2208 -2.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 -2.8067 -2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 -4.1901 -0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0487 -3.5395 0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4227 0.4862 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8973 1.8343 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9513 1.4762 2.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4995 -0.1185 3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2159 -3.9065 0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 -2.7684 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 0.0903 0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 -2.9372 -4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9373 -2.2605 -3.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1871 -3.6043 -1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4923 -5.1927 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4081 -0.8212 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8756 0.7689 -1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9720 0.1895 3.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4665 -1.1662 2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0229 -2.2156 1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4171 -3.2116 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6922 0.9278 -1.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9118 0.1796 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 -4.4634 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7482 3.3701 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3877 4.1886 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 21 1 0 0 0 0 2 34 1 0 0 0 0 3 16 1 0 0 0 0 3 69 1 0 0 0 0 4 17 1 0 0 0 0 4 70 1 0 0 0 0 5 19 1 0 0 0 0 5 71 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 28 1 0 0 0 0 8 73 1 0 0 0 0 9 33 2 0 0 0 0 10 15 1 0 0 0 0 11 15 2 0 0 0 0 12 22 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 23 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 33 1 0 0 0 0 14 60 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 20 28 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 29 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 30 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 31 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 32 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 35 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 38 2 0 0 0 0 36 72 1 0 0 0 0 37 39 2 0 0 0 0 37 74 1 0 0 0 0 38 39 1 0 0 0 0 38 75 1 0 0 0 0 M CHG 2 10 -1 15 1 M END > DB04040 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MCMWCTMAKPQTPI-WGNYYXNJSA-N/SDF?record_type=3d > [H]N(C(CN1CCOCC1)CN1CCOCC1)C(=O)C1=CC(=CC(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C1)[N+]([O-])=O > InChI=1S/C24H36N4O11/c29-14-19-20(30)21(31)22(32)24(39-19)38-18-10-15(9-17(11-18)28(34)35)23(33)25-16(12-26-1-5-36-6-2-26)13-27-3-7-37-8-4-27/h9-11,16,19-22,24,29-32H,1-8,12-14H2,(H,25,33)/t19-,20+,21+,22-,24+/m1/s1 > MCMWCTMAKPQTPI-WGNYYXNJSA-N > C24H36N4O11 > 556.5628 > 556.238058014 > 13 > 75 > 0.13539875246925231 > 54.773965689342766 > 0 > 5 > 0 > 0 > N-[1,3-bis(morpholin-4-yl)propan-2-yl]-3-nitro-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzamide > -1.9240318383333332 > 1 > 0 > 4 > 0 > 12.980601197502116 > 12.16738753579773 > 6.191337967523325 > 196.56000000000003 > 134.33629999999997 > 10 > 0 > (2S)-2-({4-[(2E)-N-({2-amino-4-oxo-1H-pyrido[3,2-d]pyrimidin-6-yl}methyl)-3-{5-carbamoyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}prop-2-enamido]phenyl}formamido)pentanedioic acid > 0 $$$$