11756356 -OEChem-03252415343D 68 73 0 1 0 0 0 0 0999 V2000 -7.8337 -0.6415 0.1446 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9835 2.3247 0.7269 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -3.3262 -0.1614 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8419 0.9263 0.8018 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4472 1.3941 0.8647 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9429 1.0122 -1.5096 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0586 -1.5954 0.0579 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9051 0.9295 -0.2659 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 1.1123 0.3511 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4348 -1.3847 -0.1108 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7963 -0.2371 0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8098 -2.3813 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7724 -1.3146 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 0.2122 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2595 1.2240 -0.1429 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3570 -0.0561 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4315 -1.1006 -0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7756 0.6692 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5526 -0.2203 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 -1.4014 0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3285 -2.1253 -0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5795 -0.2921 1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7811 -0.1513 -1.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5856 0.8681 1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7843 1.0061 -1.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4240 1.7494 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8324 -1.5806 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -0.2088 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5943 0.6751 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6345 1.0336 0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2379 -2.7494 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7289 -0.2314 0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5207 2.7919 -1.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 0.9607 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 0.9560 0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 2.2012 0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 -3.2203 -1.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 2.1717 0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7109 -2.9709 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 -3.0320 1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 1.7317 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1695 0.6817 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1296 -0.2714 2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0239 -1.2390 1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2361 -1.0908 -1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4743 -0.0300 -2.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8729 0.7637 1.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1067 1.8229 1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3116 1.9661 -1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 1.0004 -2.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6491 0.9353 -2.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4903 2.2197 -1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0380 -1.8170 -1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9965 -2.4901 0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1118 -2.7896 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5538 -3.4851 0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -1.1554 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5150 2.3583 -1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3820 3.6037 -0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5196 3.2444 -2.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9769 -1.4008 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1074 -1.3096 -0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8243 1.9755 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8825 3.1677 0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -3.2724 -1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0503 -4.2184 -0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 -2.5455 -1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3262 3.1049 0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 29 1 0 0 0 0 2 15 1 0 0 0 0 2 63 1 0 0 0 0 3 21 2 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 29 2 0 0 0 0 6 34 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 21 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 34 1 0 0 0 0 9 16 2 0 0 0 0 9 30 1 0 0 0 0 10 19 1 0 0 0 0 10 61 1 0 0 0 0 10 62 1 0 0 0 0 11 16 1 0 0 0 0 11 18 2 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 13 20 2 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 26 1 0 0 0 0 15 29 1 0 0 0 0 17 21 1 0 0 0 0 17 27 1 0 0 0 0 18 41 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 42 1 0 0 0 0 20 28 1 0 0 0 0 20 31 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 33 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 32 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 35 2 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 35 38 1 0 0 0 0 36 38 2 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 M END > DBMET01681 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/APWFTHDYKJHNEV-NDEPHWFRSA-N/SDF?record_type=3d > CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(N)CC3)C=C12 > InChI=1S/C28H30N4O6/c1-3-17-18-11-16(38-27(35)31-9-7-15(29)8-10-31)5-6-22(18)30-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)28(21,36)4-2/h5-6,11-12,15,36H,3-4,7-10,13-14,29H2,1-2H3/t28-/m0/s1 > APWFTHDYKJHNEV-NDEPHWFRSA-N > C28H30N4O6 > 518.57 > 518.216534702 > 6 > 68 > 2.5912333828555183 > 55.37015481905314 > 1 > 2 > 0 > 0 > (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl 4-aminopiperidine-1-carboxylate > 0.9940103896814937 > 0 > 1 > 6 > 1 > 11.718506233081992 > 9.970338775262139 > 135.29 > 139.119 > 4 > 0 > (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl 4-aminopiperidine-1-carboxylate > 0 $$$$