134393443 -OEChem-05201910563D 73 77 0 1 0 0 0 0 0999 V2000 5.3646 1.3880 -1.3954 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.9342 0.4150 -1.8492 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.9070 -0.1413 -1.0865 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.6163 1.7972 -2.0562 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2661 0.1918 0.9712 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1643 -0.4013 0.8406 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 0.3241 -0.9907 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4239 1.9318 -2.7383 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -2.5319 -0.0796 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0626 -1.7452 0.2179 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 -0.9372 0.5223 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9816 0.0748 0.7104 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7506 0.9284 -1.0432 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7077 1.4912 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7497 2.6593 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2097 2.8874 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6501 0.5187 1.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0487 0.8771 -1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 -3.6807 0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 -4.3000 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5257 -0.4951 1.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 -4.0164 -1.2798 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0941 -2.6000 -1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8377 -3.2644 2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 -4.7113 0.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9812 -4.1338 -2.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 -1.4687 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9138 -0.1911 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -0.5444 0.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7593 -0.6875 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 0.8711 0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3269 0.6267 0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3406 0.0751 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0541 -1.9408 0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7093 -2.1651 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5821 2.7456 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 2.5220 1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 4.0400 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 3.5930 1.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4308 5.1109 0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9182 4.8874 1.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7792 3.4196 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0711 2.7799 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3508 3.0122 -0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4999 3.1377 1.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4908 1.0606 2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6089 -0.0032 1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9017 -5.3703 0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6991 -3.8027 0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9399 -4.7076 -1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5199 -1.1646 1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6788 -1.0930 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9153 -1.8816 -1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5063 -2.4270 -2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4681 -4.3109 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -2.7940 2.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6592 -2.5421 2.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 -4.1315 2.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6457 -5.6246 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1232 -4.9888 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3677 -5.1566 -1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7434 -3.4627 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8432 -3.8808 -3.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 1.8934 0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9877 1.4743 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8285 -2.6937 0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1572 -3.0844 0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 1.2503 -1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3204 1.5218 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8741 4.2365 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6159 3.4189 2.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1803 6.1186 -0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0483 5.7212 2.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 13 1 0 0 0 0 1 36 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 21 1 0 0 0 0 5 29 1 0 0 0 0 6 33 2 0 0 0 0 9 19 1 0 0 0 0 9 23 1 0 0 0 0 9 27 1 0 0 0 0 10 27 1 0 0 0 0 10 30 2 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 35 1 0 0 0 0 12 29 2 0 0 0 0 13 33 1 0 0 0 0 13 68 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 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 42 1 0 0 0 0 16 45 1 0 0 0 0 17 21 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 22 50 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 55 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 28 2 0 0 0 0 28 31 1 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 34 35 2 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 69 1 0 0 0 0 38 40 2 0 0 0 0 38 70 1 0 0 0 0 39 41 2 0 0 0 0 39 71 1 0 0 0 0 40 41 1 0 0 0 0 40 72 1 0 0 0 0 41 73 1 0 0 0 0 M END > DB15177 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IGEOJNMYRZUKIK-IBGZPJMESA-N/SDF?record_type=3d > C[C@@H]1CN(C2=C(C=CC(=N2)N2C=CC(OCCC3(CC3)C(F)(F)F)=N2)C(=O)NS(=O)(=O)C2=CC=CC=C2)C(C)(C)C1 > InChI=1S/C28H32F3N5O4S/c1-19-17-26(2,3)35(18-19)24-21(25(37)34-41(38,39)20-7-5-4-6-8-20)9-10-22(32-24)36-15-11-23(33-36)40-16-14-27(12-13-27)28(29,30)31/h4-11,15,19H,12-14,16-18H2,1-3H3,(H,34,37)/t19-/m0/s1 > IGEOJNMYRZUKIK-IBGZPJMESA-N > C28H32F3N5O4S > 591.65 > 591.212710193 > 7 > 73 > 60.41672380321539 > 0 > 1 > 0 > 0 > N-(benzenesulfonyl)-6-(3-{2-[1-(trifluoromethyl)cyclopropyl]ethoxy}-1H-pyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide > 4.81 > 6.303538998666667 > -5.49 > 1 > 5 > -1 > 4.207994052682977 > 1.309144982709569 > 106.41999999999999 > 149.5866 > 9 > 0 > 1.93e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$