Mrv1718006181811032D 57 64 0 0 0 0 999 V2000 2.7363 -0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0896 -0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3226 -0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8492 1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6161 0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 2.3682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1427 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2629 1.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0298 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6766 1.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5564 2.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 2.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9621 2.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3153 1.6478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4791 1.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9359 1.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4237 0.5363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3495 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4903 1.6177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4447 2.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 -0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 -1.0762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6053 -0.2286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8136 -1.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -1.3802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 -2.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3266 -2.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1211 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7566 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1231 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1573 -0.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8533 0.7534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2636 1.3304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0581 1.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2978 2.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0288 2.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6011 2.5965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6353 3.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4596 3.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1564 2.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1906 3.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6695 4.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 3.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6766 0.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1408 1.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -2.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1164 -2.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2972 -2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 -3.5248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4099 -3.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5301 -2.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8834 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0567 -4.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 6 1 1 0 0 0 0 5 7 1 0 0 0 0 6 5 2 0 0 0 0 10 6 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 14 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 7 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 1 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 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 36 22 1 0 0 0 0 35 37 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 36 38 1 6 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 44 42 1 0 0 0 0 43 44 1 0 0 0 0 41 45 2 0 0 0 0 41 46 2 0 0 0 0 35 47 1 1 0 0 0 18 48 1 1 0 0 0 28 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 50 52 1 0 0 0 0 50 56 2 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 54 57 1 0 0 0 0 M END > DB09297 > drugbank > [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)C1=CN=C(C)C=N1)OC1=NC2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)NS(=O)(=O)C1CC1 > InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1 > UAUIUKWPKRJZJV-QPLHLKROSA-N > C40H43N7O7S > 765.89 > 765.294467927 > 10 > 98 > 78.71532707828055 > 1 > 3 > 0 > 0 > (1S,4R,6S,7Z,14S,18R)-N-(cyclopropanesulfonyl)-14-(5-methylpyrazine-2-amido)-2,15-dioxo-18-(phenanthridin-6-yloxy)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-ene-4-carboxamide > 3.50 > 2.4893473226252345 > -4.99 > 1 > 8 > -1 > 10.5325720955823 > 3.802830609197808 > 2.64062843786741 > 189.64999999999998 > 200.983 > 6 > 0 > 7.78e-03 g/l > (1S,4R,6S,7Z,14S,18R)-N-(cyclopropanesulfonyl)-14-(5-methylpyrazine-2-amido)-2,15-dioxo-18-(phenanthridin-6-yloxy)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-ene-4-carboxamide > 0 > DB09297 > approved; investigational > Paritaprevir > (2R,6S,12Z,13aR,14aR,16aS)-N-(cyclopropanesulfonyl)-6-[(5-methylpyrazine-2-carbonyl)amino]-5,16-dioxo-2-[(phenanthridin-6-yl)oxy]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide; Paritaprevir; Veruprevir > Holkira Pak; Technivie; Viekira Pak; Viekira XR; Viekirax > Paritaprevir dihydrate $$$$