10280735 -OEChem-10051722023D 67 70 0 1 0 0 0 0 0999 V2000 -7.9274 1.1070 0.9534 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3188 -3.1018 -2.1954 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3105 1.2936 -0.7796 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1128 -0.5266 -2.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 4.2652 -1.4203 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 4.7198 0.1993 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 0.1270 -0.5699 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4122 2.7054 0.3042 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4171 -0.2058 0.9935 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2041 -5.6917 0.3009 N 0 0 2 0 0 0 0 0 0 0 0 0 0.1187 -2.2063 0.2007 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 2.3937 -0.2201 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0941 0.8020 -0.0859 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0967 1.3509 -0.8918 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8266 2.4649 0.1355 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2748 0.8081 0.3160 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5992 1.0835 -1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 2.1862 1.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9939 1.9240 1.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 0.6595 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9402 -0.7485 -1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2963 3.5759 -0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2874 -1.9398 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7192 -0.9375 2.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 -0.4423 0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5327 -3.4142 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 -4.0343 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9021 -4.0096 1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5384 -5.3562 -0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2999 -5.4945 1.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7505 3.6318 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 -7.0642 0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6988 2.0790 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5088 3.1164 0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8374 2.8176 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3919 0.5498 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2953 1.5122 0.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7236 1.6895 -1.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 3.3909 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 -0.1312 0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7788 0.2435 -1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0527 1.9651 -1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 3.0419 2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 1.3275 1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 2.8499 0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4288 1.7041 2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 -0.1242 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0828 2.1669 1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3144 -1.8564 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -0.3659 2.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4246 -1.2017 2.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2957 0.1037 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0282 -1.5131 0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3183 -0.1058 1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7471 -3.4470 2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 -3.9269 2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -6.1196 -1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2906 -5.3255 -1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3968 -6.1090 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7913 -5.8160 2.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -7.2929 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4061 -7.1963 -0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9003 -7.7981 0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 1.6023 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2205 4.1467 0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5059 3.6098 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6874 -0.4871 0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 23 1 0 0 0 0 2 27 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 22 2 0 0 0 0 6 31 2 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 7 47 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 48 1 0 0 0 0 9 20 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 32 1 0 0 0 0 11 23 2 0 0 0 0 11 26 1 0 0 0 0 12 31 1 0 0 0 0 12 33 1 0 0 0 0 12 64 1 0 0 0 0 13 33 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 21 23 1 0 0 0 0 22 31 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 65 1 0 0 0 0 35 37 1 0 0 0 0 35 66 1 0 0 0 0 36 37 2 0 0 0 0 36 67 1 0 0 0 0 M END > DB09075 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HGVDHZBSSITLCT-JLJPHGGASA-N/SDF?record_type=3d > CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)NC2=NC=C(Cl)C=C2)[C@@H](C1)NC(=O)C1=NC2=C(CN(C)CC2)S1 > InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1 > HGVDHZBSSITLCT-JLJPHGGASA-N > C24H30ClN7O4S > 548.06 > 547.1768513 > 7 > 67 > 56.312799678304806 > 1 > 3 > 0 > 0 > N'-(5-chloropyridin-2-yl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-amido}cyclohexyl]ethanediamide > 1.61 > 0.9016595426666651 > -4.68 > 1 > 4 > 0 > 12.324371348477477 > 10.744986383439683 > 6.325714731284217 > 136.63 > 140.14339999999996 > 6 > 0 > 1.14e-02 g/l > edoxaban > 0 $$$$