Mrv1652310211602132D 64 72 0 0 1 0 999 V2000 4.0275 3.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2606 3.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6138 3.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1404 2.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3735 2.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 1.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4863 1.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 1.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9598 2.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7267 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 1.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5741 1.9449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3411 1.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0802 2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 2.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1015 3.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6785 2.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4563 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6572 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2747 0.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4613 0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8145 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0476 0.6165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9347 -0.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -1.0159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5066 -0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9634 -1.4807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6943 -1.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4722 -0.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5177 -1.0461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2911 -1.3333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0856 -1.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 -1.9103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1848 -2.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1505 -3.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 -4.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1485 -4.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -4.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 -4.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8411 -4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3843 -3.7400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2463 -2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5779 -2.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 -2.1275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 -1.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3827 -4.0440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5029 -4.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2698 -5.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1439 -5.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0237 -6.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6133 -6.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2468 -7.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5694 -7.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7073 -6.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3253 -0.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6285 -0.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0563 -0.1265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0905 0.6977 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9148 0.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 0.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1247 1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4388 2.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3189 1.6989 0.0000 C 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 2 4 1 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 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 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 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 14 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 13 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 11 23 1 0 0 0 0 22 24 1 0 0 0 0 25 24 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 33 32 1 1 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 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 42 44 1 0 0 0 0 27 44 1 1 0 0 0 44 45 1 0 0 0 0 25 45 1 0 0 0 0 41 46 1 6 0 0 0 46 47 1 0 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 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 50 54 1 0 0 0 0 31 55 1 1 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 58 60 2 0 0 0 0 58 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 61 63 1 0 0 0 0 61 64 1 0 0 0 0 M END > DB12785 > drugbank > CC(C)OC1=CC=C(C=C1)C1=NC2=C(OC3=C2C=CC=C3)C(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@H](CCCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)OC2CCCC2)=N1 > InChI=1S/C47H56N6O10S/c1-28(2)60-32-21-19-29(20-22-32)40-49-38-34-16-11-12-18-37(34)63-39(38)42(50-40)61-33-25-36-41(54)51-47(44(56)52-64(58,59)46(3)23-24-46)26-30(47)13-7-5-4-6-8-17-35(43(55)53(36)27-33)48-45(57)62-31-14-9-10-15-31/h7,11-13,16,18-22,28,30-31,33,35-36H,4-6,8-10,14-15,17,23-27H2,1-3H3,(H,48,57)(H,51,54)(H,52,56)/b13-7-/t30-,33-,35+,36+,47-/m1/s1 > GZRNOYTVBWWFLJ-NTPALUMKSA-N > C47H56N6O10S > 897.06 > 896.377863201 > 10 > 120 > 95.5583359441197 > 0 > 3 > 0 > 0 > cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-2,15-dioxo-18-({4-[4-(propan-2-yloxy)phenyl]-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}oxy)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate > 4.86 > 6.500864407666664 > -4.87 > 1 > 9 > -1 > 10.566196598929738 > 3.743091202230482 > -0.37998077065140523 > 208.35999999999999 > 245.33690000000004 > 10 > 0 > 1.22e-02 g/l > cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-18-{[4-(4-isopropoxyphenyl)-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]oxy}-4-[(1-methylcyclopropylsulfonyl)carbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate > 0 > DB12785 > investigational > Furaprevir > Furaprevir $$$$