146195299 -OEChem-09122312433D 69 74 0 1 0 0 0 0 0999 V2000 -0.5952 2.5901 2.2252 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.7794 -3.0560 1.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3827 -0.5469 0.0245 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 -0.4572 0.2929 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2877 -2.1235 -2.2677 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9902 -6.0923 -0.3277 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8542 1.1266 -1.1835 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9851 -1.0666 0.0666 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7004 -0.9250 0.1475 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 2.3618 0.1053 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6261 -4.0817 -1.2578 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0122 -0.5966 -0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7731 -0.0109 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3141 0.8660 -1.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6194 2.3928 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2812 -1.3038 -0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4959 -2.3080 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2752 -1.8489 0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5306 -2.8301 1.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1671 2.6928 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 2.4995 0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4315 3.1655 -1.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7434 -2.3633 0.0947 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1853 2.7787 1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 3.4448 -1.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4496 3.2515 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9574 -2.9777 1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 1.2170 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 3.5551 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0096 -4.4918 1.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5403 -0.1800 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3496 1.2412 0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.1401 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1858 -2.8050 -1.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 2.3738 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4759 -4.9690 -0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0552 2.4237 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9066 3.5843 0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 3.6090 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7956 -1.2661 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8624 -0.6113 -0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9081 0.2489 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9545 1.4244 -0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7014 1.0063 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 3.2034 -1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1276 2.4524 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1702 -2.0250 -1.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6868 -0.3767 -1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5552 -2.1391 1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3136 -3.0694 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4827 -1.1194 1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2248 -2.0828 -0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1973 -3.7855 2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6765 -2.1351 2.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 2.1307 1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 3.3197 -2.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7876 -2.6975 0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5119 3.8103 -2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9076 -2.6623 1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3759 -2.6597 2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1554 4.1143 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 4.2220 -0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4067 -4.9392 1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0378 -4.8558 1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3572 1.4573 0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2772 -4.4038 -2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1368 2.4432 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3951 4.5429 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8284 4.5643 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 31 2 0 0 0 0 4 33 2 0 0 0 0 5 34 2 0 0 0 0 6 36 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 23 1 0 0 0 0 9 31 1 0 0 0 0 9 33 1 0 0 0 0 10 29 1 0 0 0 0 10 35 1 0 0 0 0 10 65 1 0 0 0 0 11 34 1 0 0 0 0 11 36 1 0 0 0 0 11 66 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 20 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 55 1 0 0 0 0 22 25 2 0 0 0 0 22 56 1 0 0 0 0 23 27 1 0 0 0 0 23 34 1 0 0 0 0 23 57 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 31 1 0 0 0 0 28 32 2 0 0 0 0 28 35 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 36 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 35 38 2 0 0 0 0 37 39 2 0 0 0 0 37 67 1 0 0 0 0 38 39 1 0 0 0 0 38 68 1 0 0 0 0 39 69 1 0 0 0 0 M END > DB18115 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NZYDBVQXOGPDDU-QHCPKHFHSA-N/SDF?record_type=3d > FC1=CC(CN2CC(C2)N2CCOCC2)=CC=C1CNC1=CC=CC2=C1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O > InChI=1S/C28H30FN5O5/c29-21-12-17(14-32-15-19(16-32)33-8-10-39-11-9-33)4-5-18(21)13-30-22-3-1-2-20-25(22)28(38)34(27(20)37)23-6-7-24(35)31-26(23)36/h1-5,12,19,23,30H,6-11,13-16H2,(H,31,35,36)/t23-/m0/s1 > NZYDBVQXOGPDDU-QHCPKHFHSA-N > C28H30FN5O5 > 535.576 > 535.223097249 > 8 > 69 > 3.0106891592432614 > 55.53785809443563 > 1 > 2 > 0 > 0 > 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-{[(2-fluoro-4-{[3-(morpholin-4-yl)azetidin-1-yl]methyl}phenyl)methyl]amino}-2,3-dihydro-1H-isoindole-1,3-dione > 1.635443501333333 > 1 > 0 > 6 > 0 > 16.74266809987661 > 11.593281232553014 > 6.507223675983895 > 111.28999999999999 > 142.6851 > 7 > 0 > 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-{[(2-fluoro-4-{[3-(morpholin-4-yl)azetidin-1-yl]methyl}phenyl)methyl]amino}isoindole-1,3-dione > 0 $$$$