24752832 -OEChem-10051721063D 58 62 0 1 0 0 0 0 0999 V2000 -5.7700 -4.5810 1.9486 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5567 0.4610 -1.2166 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8049 2.8770 -1.1602 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9937 1.7013 -2.4037 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4003 2.2230 0.5652 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3824 2.0687 -0.1975 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4374 -3.3695 -0.1944 N 0 0 2 0 0 0 0 0 0 0 0 0 2.9000 -0.1535 0.6841 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4933 -0.6060 -1.6771 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5634 3.3994 0.5560 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6034 3.2647 -0.4377 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0814 3.7339 1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4975 4.5103 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7933 4.9847 1.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 4.8695 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4656 2.0608 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0186 1.3821 -1.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 0.7821 -0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7842 -1.1981 0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7393 -1.0425 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7056 -2.4366 1.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -2.0450 -0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0022 -3.2677 1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8005 0.1887 -0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9737 -0.3216 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5584 -4.2994 -0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1162 -1.6282 -0.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 -1.4720 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9235 -2.6685 -1.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3226 -2.3983 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1316 -3.4441 0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4261 -3.5752 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1872 4.2386 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1873 3.1772 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 2.8916 2.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9448 3.8925 2.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 4.3741 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9346 5.3596 -0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1831 5.8562 1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 5.1619 2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6617 4.1053 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5144 5.8159 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 1.4655 1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 1.7687 0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 -3.0309 1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 -2.1869 2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 -1.6930 -0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9248 -2.1364 -1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 -2.8162 1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 -4.2660 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5425 -0.4650 -2.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 0.0692 1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 -4.4019 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4335 -3.9754 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2705 -5.2988 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1532 -2.7713 -2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0921 -2.2948 2.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0557 -4.3903 -0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 5 43 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 44 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 7 26 1 0 0 0 0 8 18 2 0 0 0 0 8 19 1 0 0 0 0 9 24 1 0 0 0 0 9 27 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 17 24 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 25 28 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 32 2 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 32 58 1 0 0 0 0 M END > DB07629 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ARPFWVKYXJZULB-DLBZAZTESA-N/SDF?record_type=3d > [H][C@@]1(CCCC[C@@]1([H])NC(=O)C1=NC2=C(CN(C)CC2)S1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2 > InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1 > ARPFWVKYXJZULB-DLBZAZTESA-N > C23H26ClN5O2S > 472.003 > 471.149573498 > 4 > 58 > 0.17470789050097452 > 51.19112305730352 > 1 > 3 > 0 > 1 > 5-chloro-N-[(1S,2R)-2-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-amido}cyclohexyl]-1H-indole-2-carboxamide > 3.19 > 3.1407619209999993 > -5.03 > 0 > 0 > 5 > 0 > 14.097867748143171 > 12.304630651251696 > 6.325718701709226 > 90.12 > 125.69359999999996 > 4 > 1 > 4.45e-03 g/l > biotin > 0 $$$$