60151477 -OEChem-05201910293D 58 61 0 0 0 0 0 0 0999 V2000 2.5399 0.9676 -0.2145 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4409 -1.7233 0.7619 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7453 -0.3646 -1.3126 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0298 0.2165 -0.2188 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2642 -0.1633 -0.2024 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 1.3256 0.1397 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7805 -0.9923 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9027 -0.6162 1.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8901 -1.2557 -0.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8377 -1.5124 0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 -0.0448 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3083 0.7694 0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 -0.8695 -1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -0.0282 1.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -0.2734 0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1752 1.0559 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5899 2.0140 0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3716 0.1875 -0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6567 0.2775 -0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1375 -0.9997 0.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3615 0.9840 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5809 -0.9355 -0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0969 -2.1829 0.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 2.1037 0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0175 0.2773 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 1.2354 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9591 0.5474 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2035 -1.8781 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1963 -0.3952 -1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7285 -2.1130 -1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7536 -0.9398 2.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2231 0.4336 1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8597 -2.5576 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8626 -1.1528 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9618 0.8994 1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9953 1.7885 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8195 0.9242 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6803 -0.5293 -2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3734 -0.9884 1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 0.5276 2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2493 -0.9084 -1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1852 -1.9003 -0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3619 -0.9902 0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 2.6923 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8126 -0.5577 -1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7707 0.8505 -1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3707 -0.4139 1.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1163 -1.3835 1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9498 0.9230 0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3855 1.4659 0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6403 1.7430 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6235 -0.6072 -0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3785 -1.5579 -1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8431 -2.8474 0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0469 -2.7737 1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 2.8550 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 -0.4281 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3344 2.0546 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 27 2 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 6 58 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 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 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 24 1 0 0 0 0 17 44 1 0 0 0 0 18 25 2 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 19 49 1 0 0 0 0 20 23 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 27 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 2 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 M END > DB14835 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LNXDUSQEXVQFGP-UHFFFAOYSA-N/SDF?record_type=3d > O=C(CN1CCOCC1)NC1=CC=C(OC2CCN(CC2)C2CCC2)C=C1 > InChI=1S/C21H31N3O3/c25-21(16-23-12-14-26-15-13-23)22-17-4-6-19(7-5-17)27-20-8-10-24(11-9-20)18-2-1-3-18/h4-7,18,20H,1-3,8-16H2,(H,22,25) > LNXDUSQEXVQFGP-UHFFFAOYSA-N > C21H31N3O3 > 373.497 > 373.23654187 > 5 > 58 > 42.83847948081314 > 1 > 1 > 0 > 1 > N-{4-[(1-cyclobutylpiperidin-4-yl)oxy]phenyl}-2-(morpholin-4-yl)acetamide > 3.11 > 1.6632222829999985 > -3.00 > 1 > 4 > 1 > 13.972027431157654 > 9.108691344715151 > 54.04 > 107.15099999999998 > 6 > 1 > 3.73e-01 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$