Mrv1652310201622412D 68 77 0 0 1 0 999 V2000 10.6987 -1.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9028 -1.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6931 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -1.7988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5208 -1.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3111 -0.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9346 -2.1620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0598 -2.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3229 -3.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7423 -2.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1204 -2.0290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7494 -1.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9352 -1.1591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 -0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1275 -0.5588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0376 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3043 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6103 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6495 -0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3828 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8779 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3618 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8144 1.0079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 1.7448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6198 1.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 0.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0855 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2618 -0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3435 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9328 0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4551 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2239 0.1675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1767 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3788 1.2008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8154 1.5134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6133 1.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0593 1.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 2.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7682 2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0742 2.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3409 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1134 3.6071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8466 3.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5407 3.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8858 4.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4193 4.0531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 4.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1918 5.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7645 5.3232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0312 4.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 -1.0613 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8961 2.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6041 3.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 3.7223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 3.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7202 2.4738 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7091 3.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2314 4.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5233 3.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 -2.5967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3222 -2.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9084 -2.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5319 -3.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9457 -4.1925 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 17 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 20 25 1 0 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 24 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 28 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 34 38 1 0 0 0 0 39 37 1 6 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 1 0 0 0 0 39 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 46 50 1 6 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 30 55 1 0 0 0 0 26 56 1 1 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 56 60 1 0 0 0 0 59 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 4 64 1 6 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 67 68 1 0 0 0 0 M END > DB11713 > drugbank > COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=CC=C2N3[C@@H](OC4=C(C3=CC2=C1)C(F)=CC(=C4)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C1=CN=C(S1)C1CC1 > InChI=1S/C49H55FN10O7S/c1-24(2)40(56-48(63)65-5)45(61)58-15-7-9-34(58)42-51-21-31(54-42)27-13-14-33-29(17-27)19-36-39-30(50)18-28(20-37(39)67-47(60(33)36)38-23-53-44(68-38)26-11-12-26)32-22-52-43(55-32)35-10-8-16-59(35)46(62)41(25(3)4)57-49(64)66-6/h13-14,17-26,34-35,40-41,47H,7-12,15-16H2,1-6H3,(H,51,54)(H,52,55)(H,56,63)(H,57,64)/t34-,35-,40-,41-,47-/m0/s1 > AXWDHVUJXNOWCC-RAEGKSCOSA-N > C49H55FN10O7S > 947.1 > 946.395993488 > 8 > 123 > 104.39174001339325 > 0 > 4 > 0 > 0 > methyl N-[(2S)-1-[(2S)-2-{5-[(9S)-9-(2-cyclopropyl-1,3-thiazol-5-yl)-3-fluoro-5-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}-8-oxa-10-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-14-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate > 5.46 > 5.977330696333332 > -5.35 > 1 > 10 > 0 > 11.671583356102754 > 11.069999511590769 > 6.041335854750591 > 201.69 > 248.5727 > 14 > 0 > 4.25e-03 g/l > methyl N-[(2S)-1-[(2S)-2-{4-[(9S)-9-(2-cyclopropyl-1,3-thiazol-5-yl)-3-fluoro-5-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-imidazol-4-yl}-8-oxa-10-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-14-yl]-3H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate > 0 > DB11713 > investigational > Ruzasvir > Ruzasvir $$$$