11634458 -OEChem-10051720533D 56 59 0 1 0 0 0 0 0999 V2000 -4.7708 6.2258 0.2401 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -0.4879 -3.1273 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9685 -4.3749 1.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8711 -1.7497 0.9847 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9964 -0.5486 0.8744 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6916 1.4497 2.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -1.8180 -0.0739 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0447 -1.2635 -1.1275 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2787 0.5177 -0.2866 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2685 0.4549 0.1031 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -2.0581 -0.9614 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9235 -4.1545 -0.0259 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2321 -3.5589 -1.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 -3.0759 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9384 -1.6779 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9532 -0.5935 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5722 -4.9300 2.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3566 -0.8308 -0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6358 1.8830 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 -0.4518 -1.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7638 -0.7967 0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 0.0133 -0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4983 -0.0266 -1.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0568 -0.3717 0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8307 2.8653 -0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 2.2364 0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 4.2095 -0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1413 3.5805 0.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3372 4.5672 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5235 1.1177 1.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 0.2528 -0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9452 1.4974 1.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5704 0.6316 -0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8939 1.2663 0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3171 -1.4735 -1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4131 -5.1032 -0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8531 -3.7372 -2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2385 -3.9838 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 -3.1984 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1382 -2.9941 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1805 -1.2688 -2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0195 -4.1511 2.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7808 -5.3985 2.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 -5.7003 1.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4211 0.3572 -0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 -1.0921 1.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1281 0.2953 -2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3612 -0.4144 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 2.5993 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4662 1.5374 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 4.9675 -1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0444 3.8459 1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 -0.2666 -1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 1.9784 2.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 0.4476 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9248 1.5465 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 20 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 30 2 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 41 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 45 1 0 0 0 0 10 22 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 34 2 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 M END > DB06920 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QQBKAVAGLMGMHI-WIYYLYMNSA-N/SDF?record_type=3d > [H][C@@]1(CN(C(=O)NC2=CC=C(Cl)C=C2)[C@]([H])(C1)C(=O)NC1=CC=C(C=C1F)N1C=CC=CC1=O)OC > InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1 > QQBKAVAGLMGMHI-WIYYLYMNSA-N > C24H22ClFN4O4 > 484.907 > 484.131361124 > 4 > 56 > -3.514257594701264e-05 > 47.30212566656232 > 1 > 2 > 0 > 0 > (2R,4R)-N1-(4-chlorophenyl)-N2-[2-fluoro-4-(2-oxo-1,2-dihydropyridin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide > 3.35 > 3.022227844333334 > -4.83 > 0 > 0 > 4 > 0 > 13.355562260973995 > 11.459693904543963 > -1.5379693934418357 > 90.98000000000002 > 128.7912 > 5 > 1 > 7.17e-03 g/l > biotin > 0 $$$$