Mrv1909 12231902472D 65 73 0 0 0 0 999 V2000 5.2265 0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8394 -0.5197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6465 -0.3485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9823 0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0588 -1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5064 -1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7528 -1.3401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0382 -1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9521 -2.5731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1452 -2.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7325 -3.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 -3.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 -2.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -2.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2575 -2.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4324 -2.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0201 -2.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8049 -2.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2175 -2.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0425 -2.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5274 -2.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -2.4425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -1.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9794 -1.1325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7641 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2490 -0.7199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0740 -0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4863 -0.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3114 -0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7641 -0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9792 -0.3075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3119 0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 -0.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 0.9977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1516 1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2379 2.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 2.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6590 2.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5729 1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8192 0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7306 1.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8167 2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1492 2.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5704 2.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6566 3.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5273 -1.3626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8048 -1.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -1.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2575 -0.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -1.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 -1.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 -2.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7325 -2.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2846 -1.4170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4418 -0.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3982 0.8393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7855 1.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0006 1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9573 2.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1831 1.0939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3549 1.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7418 2.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1395 2.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3114 2.9625 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 3 4 1 1 0 0 0 3 5 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 12 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 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 23 22 2 0 0 0 0 24 23 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 30 26 1 0 0 0 0 31 30 1 0 0 0 0 24 31 1 0 0 0 0 31 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 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 39 38 2 0 0 0 0 40 39 1 0 0 0 0 35 40 2 0 0 0 0 34 41 1 1 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 46 23 1 0 0 0 0 20 46 1 0 0 0 0 47 19 1 0 0 0 0 48 47 2 0 0 0 0 16 48 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 51 15 1 0 0 0 0 52 51 2 0 0 0 0 53 52 1 0 0 0 0 53 13 2 0 0 0 0 54 53 1 0 0 0 0 54 10 2 0 0 0 0 55 54 1 0 0 0 0 8 55 1 0 0 0 0 1 56 2 0 0 0 0 1 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 57 61 1 6 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 M END > DB11613 > drugbank > COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)C1=CC=CC=C1)C1=NC=C(N1)C1=CC=C2C(COC3=CC4=C(C=CC5=C4NC(=N5)[C@@H]4CC[C@H](C)N4C(=O)[C@@H](NC(=O)OC)C(C)C)C=C23)=C1 > InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1 > FHCUMDQMBHQXKK-CDIODLITSA-N > C49H54N8O8 > 883.019 > 882.406460731 > 8 > 119 > 0.10587522647370944 > 97.05199984352603 > 0 > 4 > 0 > 0 > methyl N-[(1R)-2-[(2S,4S)-2-(5-{6-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{14,19}]henicosa-1,3(11),4(8),6,9,12,14,16,18-nonaen-17-yl}-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate > 5.39 > 5.10719836433333 > -5.18 > 1 > 0 > 9 > 0 > 11.730032479210575 > 11.137293018826643 > 5.967410802319906 > 193.1 > 240.56869999999998 > 13 > 0 > 5.85e-03 g/l > N''-({4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}methyl)guanidine > 0 > DB11613 > approved; investigational > Velpatasvir > Velpatasvir; Velpatasvirum > Epclusa; Epclusa Access; Sofosbuvir and Velpatasvir; Vosevi $$$$