Mrv1652310201623122D 60 66 0 0 1 0 999 V2000 0.8858 -0.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 -1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 -1.0980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 -0.3443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1550 0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3302 0.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 1.0844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1293 1.7913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9714 2.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7516 2.3329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5613 2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1029 1.8685 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8295 3.2710 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3592 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 0.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7178 2.0140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0523 1.7179 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2439 0.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3484 2.4880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8223 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6471 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2476 2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6644 0.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1447 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9485 -2.1369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6934 -4.6981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4938 -4.3524 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1283 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 11 17 1 1 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 6 0 0 0 36 35 1 1 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 45 50 1 0 0 0 0 50 51 2 0 0 0 0 42 51 1 0 0 0 0 47 52 1 0 0 0 0 52 53 1 0 0 0 0 43 54 1 0 0 0 0 4 54 1 0 0 0 0 41 55 1 0 0 0 0 41 56 1 0 0 0 0 29 57 1 6 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 57 60 1 0 0 0 0 M END > DB12026 > drugbank > CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)C1=C(O2)N=C2C=C(OC)C=CC2=N1)C(C)(C)C > InChI=1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1 > MZBLZLWXUBZHSL-FZNJKFJKSA-N > C40H52F4N6O9S > 868.94 > 868.345261104 > 10 > 112 > 85.37383299991791 > 1 > 3 > 0 > 0 > (1R,18R,20R,24S,27S,28S)-24-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-28-ethyl-13,13-difluoro-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0^{3,12}.0^{5,10}.0^{18,20}]nonacosa-3(12),4,6,8,10-pentaene-27-carboxamide > 3.98 > 4.904590610333333 > -4.23 > 1 > 7 > -1 > 11.164239667007141 > 3.7443693475572424 > -0.8440392108426976 > 195.21999999999997 > 203.02059999999994 > 8 > 0 > 5.06e-02 g/l > (1R,18R,20R,24S,27S,28S)-24-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-[(1-methylcyclopropylsulfonyl)carbamoyl]cyclopropyl]-28-ethyl-13,13-difluoro-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0^{3,12}.0^{5,10}.0^{18,20}]nonacosa-3(12),4,6,8,10-pentaene-27-carboxamide > 0 > DB12026 > approved; investigational > Voxilaprevir > Voxilaprevir > Vosevi $$$$