155207651 -OEChem-09212318033D 62 67 0 1 0 0 0 0 0999 V2000 -4.2297 0.1492 2.3593 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 3.7560 1.0641 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3615 2.5585 0.0994 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8077 2.9024 -1.0463 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4467 -0.1674 0.1411 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5912 2.6861 -0.4528 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0894 1.1731 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4408 0.5244 -0.6377 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3259 -0.8343 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -1.3649 0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8259 -0.0567 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -1.0703 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -2.0988 0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4467 -0.2799 1.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0199 -2.2869 -0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8429 0.7180 -1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3941 1.9965 -0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8815 -1.0108 -1.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -3.0563 -1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 -1.7451 -1.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7043 -1.5041 3.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1139 -2.5512 1.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8163 2.1907 -0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 -2.2521 2.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5229 -2.2040 -1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0596 0.2075 -1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4610 1.6380 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2150 2.3183 -0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8276 -0.6325 -1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4652 2.6528 1.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2716 3.3170 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -1.4367 -2.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3691 -2.1855 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9815 -0.6509 -2.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5215 -1.3998 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1956 0.4610 -1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1096 -0.0001 0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8496 -1.1161 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8483 0.3338 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6460 0.6069 -2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4093 -0.6086 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1871 -3.5661 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3845 -3.8857 -0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3384 -1.8945 -2.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1759 -1.2830 3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0225 -3.1434 1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5668 3.6793 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1983 0.7041 -2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9034 -0.4913 -1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0691 -2.6124 3.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1060 0.7961 0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8746 2.1017 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5318 2.8167 -1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1752 1.9972 -0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1445 2.2001 2.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4769 3.0445 1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 4.1981 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8759 2.8869 1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -1.4448 -3.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -2.7859 0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2069 -0.0587 -3.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1751 -1.4029 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 17 2 0 0 0 0 4 23 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 17 1 0 0 0 0 6 23 1 0 0 0 0 6 47 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 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 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 21 2 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 23 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 18 20 2 0 0 0 0 18 41 1 0 0 0 0 19 25 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 21 24 1 0 0 0 0 21 45 1 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 24 50 1 0 0 0 0 25 32 2 0 0 0 0 25 33 1 0 0 0 0 26 29 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 30 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 34 1 0 0 0 0 32 59 1 0 0 0 0 33 35 2 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 M END > DB18400 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MUKCJOOKCZSQNW-DEOSSOPVSA-N/SDF?record_type=3d > O=C1N([C@H]2CCC(=O)NC2=O)C2=CC=C(CC3=CC=C(CN4CCOCC4)C=C3)C3=CC=CC1=C23 > InChI=1S/C28H27N3O4/c32-25-11-10-24(27(33)29-25)31-23-9-8-20(21-2-1-3-22(26(21)23)28(31)34)16-18-4-6-19(7-5-18)17-30-12-14-35-15-13-30/h1-9,24H,10-17H2,(H,29,32,33)/t24-/m0/s1 > MUKCJOOKCZSQNW-DEOSSOPVSA-N > C28H27N3O4 > 469.541 > 469.200156361 > 5 > 62 > 1.031434518309406 > 49.50749339203212 > 1 > 1 > 0 > 0 > (3S)-3-[9-({4-[(morpholin-4-yl)methyl]phenyl}methyl)-3-oxo-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaen-2-yl]piperidine-2,6-dione > 2.858726225333334 > 0 > 1 > 6 > 0 > 16.870714928676982 > 11.597749361448166 > 7.008074600982291 > 78.95 > 132.56730000000002 > 5 > 1 > (3S)-3-(9-{[4-(morpholin-4-ylmethyl)phenyl]methyl}-3-oxo-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaen-2-yl)piperidine-2,6-dione > 0 $$$$