Mrv1909 05102022362D 66 72 0 0 0 0 999 V2000 -1.1700 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -0.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7574 -1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 0.0401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -2.1425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4075 -1.3887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3996 -2.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -2.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -2.3682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5556 -1.6146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9424 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0405 -2.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 -3.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2907 -3.9643 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5557 -4.3389 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8638 -3.8895 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -0.3089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4275 -0.3952 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0674 0.0400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4797 -0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5423 0.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9548 -0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5424 -1.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 -1.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9548 -2.1033 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9548 0.7545 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0674 1.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4798 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3048 2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 1.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 0.7545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 1.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3673 1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1923 1.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9068 1.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 2.1835 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3193 1.7709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 2.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0173 2.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1924 0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 2.9681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5825 3.4529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 2.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 2.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4075 1.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 0.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1701 0.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7576 1.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1304 3.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 4.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 4.5820 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2126 4.8369 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8256 4.2849 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0346 3.2230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6477 2.6709 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1997 3.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0957 2.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2608 2.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2325 1.4688 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2201 -3.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1687 -1.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 5 6 1 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 5 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 10 1 0 0 0 0 13 11 1 0 0 0 0 12 7 1 0 0 0 0 10 8 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 9 14 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 2 6 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 22 27 2 0 0 0 0 26 28 1 0 0 0 0 24 29 1 0 0 0 0 21 22 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 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 30 35 2 0 0 0 0 36 37 3 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 40 41 2 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 38 40 1 0 0 0 0 38 44 1 0 0 0 0 34 36 1 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 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 45 53 1 0 0 0 0 48 53 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 45 54 1 0 0 0 0 60 61 2 0 0 0 0 60 62 2 0 0 0 0 60 63 1 0 0 0 0 59 60 1 0 0 0 0 47 59 1 0 0 0 0 49 64 1 0 0 0 0 31 52 1 0 0 0 0 20 30 1 0 0 0 0 20 4 1 6 0 0 0 10 65 1 6 0 0 0 11 66 1 6 0 0 0 M END > DB15673 > drugbank > [H][C@]12C[C@@]1([H])C(F)(F)C1=C2C(=NN1CC(=O)N[C@@H](CC1=CC(F)=CC(F)=C1)C1=NC(=CC=C1C1=CC=C(Cl)C2=C1N(CC(F)(F)F)N=C2NS(C)(=O)=O)C#CC(C)(C)S(C)(=O)=O)C(F)(F)F > InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1 > BRYXUCLEHAUSDY-WEWMWRJBSA-N > C39H32ClF10N7O5S2 > 968.28 > 967.1435188 > 8 > 96 > 2.2625334510626156 > 83.28769418034385 > 0 > 2 > 0 > 0 > N-[(1S)-1-{3-[4-chloro-3-methanesulfonamido-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-(3-methanesulfonyl-3-methylbut-1-yn-1-yl)pyridin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),8-dien-7-yl]acetamide > 6.47 > 6.399858530666666 > -5.43 > 1 > -1 > 7 > -1 > 7.384877569500573 > 6.690437362006845 > 1.9108501655232322 > 157.94 > 231.2721 > 14 > 0 > 3.57e-03 g/l > N-[(1S)-1-{3-[4-chloro-3-methanesulfonamido-1-(2,2,2-trifluoroethyl)indazol-7-yl]-6-(3-methanesulfonyl-3-methylbut-1-yn-1-yl)pyridin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),8-dien-7-yl]acetamide > 0 > DB15673 > approved; investigational > Lenacapavir > Lenacapavir > Sunlenca > Lenacapavir sodium $$$$