10222057 -OEChem-09292312323D 57 59 0 1 0 0 0 0 0999 V2000 -6.6211 2.2436 -1.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2035 2.2242 -0.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 -2.1544 1.4914 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7922 0.7502 0.0925 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4654 0.0773 0.8535 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6409 -0.8693 -0.1242 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4141 -0.1854 -0.1616 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2475 0.8440 0.9123 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5772 -0.5177 -1.0483 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9343 -0.0920 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4031 1.2803 -0.1093 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6475 -1.0709 0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9215 1.2550 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0682 0.0543 1.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1936 -1.1158 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4597 -0.0158 -0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2983 -0.5753 -1.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2481 -0.8214 -0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1265 -0.3421 0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 -0.3899 0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0855 0.4567 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5093 -1.3492 -1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5246 0.4088 0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9619 -1.4582 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 0.0550 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5798 1.0540 0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8993 -0.2659 -0.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4628 0.5201 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9313 1.6246 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9493 -2.0858 0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2229 -0.8036 1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9502 -0.6402 2.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7954 1.0495 1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1252 -0.1392 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0642 -1.8186 -0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7167 0.6651 -1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9709 0.3407 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8722 -1.0008 -1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2079 -0.6472 -1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5332 0.1028 -2.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6741 -1.5682 -2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2327 0.3614 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4205 -1.3257 -0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4266 0.6156 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5518 -1.0806 1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.8338 1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 1.1892 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4531 -0.6789 -2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 -2.3420 -1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8256 1.4377 1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5775 -0.1738 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0612 -2.2522 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5636 -1.7501 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3898 3.1148 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 1.6852 1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5062 -0.7334 -1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2261 0.2831 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 54 1 0 0 0 0 2 13 2 0 0 0 0 3 15 2 0 0 0 0 4 28 1 0 0 0 0 4 57 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 18 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 25 2 0 0 0 0 8 26 1 0 0 0 0 9 25 1 0 0 0 0 9 27 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 M END > DBMET03724 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QQMVSPAEOUEOLJ-UHFFFAOYSA-N/SDF?record_type=3d > CC1(C)CC(=O)N(CCCCN2CCN(CC2)C2=NC=C(O)C=N2)C(=O)C1O > InChI=1S/C19H29N5O4/c1-19(2)11-15(26)24(17(28)16(19)27)6-4-3-5-22-7-9-23(10-8-22)18-20-12-14(25)13-21-18/h12-13,16,25,27H,3-11H2,1-2H3 > QQMVSPAEOUEOLJ-UHFFFAOYSA-N > C19H29N5O4 > 391.472 > 391.221954434 > 8 > 57 > 2.163848420578716 > 42.67871636249865 > 1 > 2 > 0 > 1 > 3-hydroxy-1-{4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl}-4,4-dimethylpiperidine-2,6-dione > -0.3920070873361906 > 1 > 1 > 3 > 1 > 12.678499624049731 > 8.671552449025882 > 8.268685683721733 > 110.10000000000002 > 104.8099 > 6 > 1 > 3-hydroxy-1-{4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl}-4,4-dimethylpiperidine-2,6-dione > 0 $$$$