Mrv1909 05201915212D 59 66 0 0 1 0 999 V2000 -2.1451 -3.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4323 -4.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7161 -3.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7128 -3.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 -2.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0033 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7128 -2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4323 -2.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4356 -1.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 -2.8962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8612 -2.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8645 -1.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5807 -1.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2935 -1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2901 -2.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0029 -2.9077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7886 -2.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 -3.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8138 -3.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9996 -3.7327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7124 -4.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7091 -4.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4218 -5.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9929 -5.3827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9896 -6.2077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7024 -6.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4574 -6.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0070 -6.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5916 -7.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7853 -7.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2734 -6.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2701 -7.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 -6.2019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -5.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 -4.9615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3434 -5.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -6.3702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4144 -7.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8966 -7.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5936 -7.2054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -7.9577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1941 -8.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9371 -8.4218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7598 -8.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1185 -9.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4553 -7.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2311 -6.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1202 -8.3460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9199 -8.1432 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 -7.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1227 -8.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7196 -7.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6587 -7.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0582 -8.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5404 -8.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8545 -4.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -3.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 -4.1308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 6 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 27 31 1 0 0 0 0 26 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 38 37 1 0 0 0 0 38 34 1 0 0 0 0 38 39 1 6 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 44 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 6 0 0 0 45 46 2 0 0 0 0 42 47 1 6 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 2 0 0 0 0 50 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 53 56 1 0 0 0 0 36 57 1 0 0 0 0 57 58 1 0 0 0 0 11 58 1 0 0 0 0 58 59 2 0 0 0 0 5 59 1 0 0 0 0 M END > DB15371 > drugbank > COC1=CC2=C(C=C1)C(=O)N1CCCCC[C@@H]3CCC[C@H]3OC(=O)N[C@@H](C3CCCC3)C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3(C)CC3)OC1=N2 > InChI=1S/C42H56N6O10S/c1-4-27-23-42(27,38(52)46-59(54,55)41(2)18-19-41)45-35(49)32-22-29-24-48(32)37(51)34(26-12-7-8-13-26)44-40(53)58-33-15-10-14-25(33)11-6-5-9-20-47-36(50)30-17-16-28(56-3)21-31(30)43-39(47)57-29/h4,16-17,21,25-27,29,32-34H,1,5-15,18-20,22-24H2,2-3H3,(H,44,53)(H,45,49)(H,46,52)/t25-,27-,29-,32+,33-,34+,42-/m1/s1 > HMYVZDWJFQOHCD-XEZGQWAWSA-N > C42H56N6O10S > 837.0 > 836.377863201 > 9 > 115 > 87.98574310821468 > 0 > 3 > 0 > 0 > (1R,18R,22R,26S,29S)-26-cyclopentyl-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-7-methoxy-11,24,27-trioxo-2,23-dioxa-4,12,25,28-tetraazapentacyclo[26.2.1.0^{3,12}.0^{5,10}.0^{18,22}]hentriaconta-3,5(10),6,8-tetraene-29-carboxamide > 3.16 > 4.2582719976666645 > -4.96 > 1 > 8 > -1 > 11.413361333631574 > 3.7465543372739605 > 1.6468504603332212 > 202.10999999999996 > 215.98280000000005 > 7 > 0 > 9.19e-03 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 > DB15371 > investigational > MK-2748 $$$$