72402 -OEChem-10051722473D 44 48 0 1 0 0 0 0 0999 V2000 -5.0422 -0.8267 0.4094 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2398 2.1890 0.8707 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -3.4092 -0.1853 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6569 1.1852 1.1929 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 -1.6349 -0.0717 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 1.1402 0.0579 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2647 -1.2961 -0.0422 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 1.0881 0.0139 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4104 0.1092 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0365 -0.2699 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6581 -1.2108 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 -2.3835 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0433 0.6067 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0217 -1.2869 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 -0.0465 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5245 -2.2021 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 1.6204 -1.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0533 -1.7323 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8269 0.4953 0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 -1.3336 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 -0.1202 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9703 2.6245 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3707 1.1009 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5047 -0.1021 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0912 2.2893 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1950 1.1056 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4881 2.3006 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0574 -2.9623 -1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 -3.0425 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 1.6748 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1061 0.8068 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9579 2.1211 -1.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3367 -1.9692 -1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1414 -2.6495 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 -2.3045 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9381 2.1605 -1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7987 3.4302 -0.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0665 3.0946 -2.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9985 1.8371 1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 3.2406 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2816 1.1298 0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0211 3.2459 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8357 -2.2076 -0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2751 -1.2366 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 8 1 0 0 0 0 2 39 1 0 0 0 0 3 16 2 0 0 0 0 4 19 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 15 2 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 17 22 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END > DB12515 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FUXVKZWTXQUGMW-FQEVSTJZSA-N/SDF?record_type=3d > CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(N)C1=C3)C2=O > InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1 > FUXVKZWTXQUGMW-FQEVSTJZSA-N > C20H17N3O4 > 363.373 > 363.121906039 > 5 > 44 > 37.87144772510919 > 1 > 2 > 0 > 1 > (19S)-8-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione > 1.35 > 0.391317284 > -2.76 > 0 > 5 > 0 > 11.710530193261718 > 3.9144057675558748 > 105.75 > 99.19290000000001 > 1 > 1 > 6.33e-01 g/l > (19S)-8-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione > 0 $$$$