10320144 -OEChem-10051721223D 56 59 0 1 0 0 0 0 0999 V2000 6.1678 -2.3330 -1.8032 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3649 1.1913 1.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6423 1.1814 -1.7307 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9409 -0.8913 0.4788 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2409 -0.9776 1.9397 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 3.1781 -0.7229 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1374 0.0313 0.2266 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2277 0.7470 0.6012 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8765 -1.2269 -0.3492 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6198 -2.2156 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 -0.6948 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9555 -2.7606 -0.5283 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9665 -2.0884 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 -0.2747 0.7034 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7071 0.9857 0.4782 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0397 0.0863 0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2386 0.5972 0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 1.7837 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 1.0592 1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -0.2030 -0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -0.1056 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 0.7034 1.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -0.5587 -0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 3.9668 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5997 3.9637 -1.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8314 -0.4827 -0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7876 0.3648 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -1.7433 -0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5637 -1.1673 -0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 -2.0662 -0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2300 -0.0502 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -2.8220 0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9055 -2.1505 -0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6734 -0.0282 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6570 -0.2289 1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0089 -3.8519 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9996 -2.6051 1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9736 -2.0546 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4433 -0.9536 -0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8349 1.6201 1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2674 -1.2771 1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7912 -1.8295 2.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3617 1.6741 2.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -0.5608 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6985 1.0530 1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7559 -1.1733 -1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9869 4.8407 -0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8002 3.4039 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3388 4.2963 1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0288 3.3342 -2.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3817 4.6212 -1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7964 4.5668 -2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6004 1.3348 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5168 -2.4519 -1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8637 -3.0090 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2568 0.2398 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 14 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 18 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 29 1 0 0 0 0 8 31 2 0 0 0 0 9 29 2 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 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 11 35 1 0 0 0 0 12 13 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 15 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 22 1 0 0 0 0 19 43 1 0 0 0 0 20 23 2 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 M END > DB08504 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZNHVIJAGMFQGMS-IHPCNDPISA-N/SDF?record_type=3d > [H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C(=O)N(C)C)C1=CC=C(C=C1)C1=CN2N=CN=C2C=C1 > InChI=1S/C22H25FN6O2/c1-27(2)21(30)19(20(24)22(31)28-10-9-17(23)12-28)15-5-3-14(4-6-15)16-7-8-18-25-13-26-29(18)11-16/h3-8,11,13,17,19-20H,9-10,12,24H2,1-2H3/t17-,19-,20-/m0/s1 > ZNHVIJAGMFQGMS-IHPCNDPISA-N > C22H25FN6O2 > 424.4713 > 424.202302279 > 5 > 56 > 0.4664566856304464 > 44.19312437233269 > 1 > 1 > 0 > 1 > (2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-(4-{[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)butanamide > 1.30 > 0.725064350333334 > -3.59 > 0 > 1 > 4 > 0 > 18.090797263050344 > 6.941595072118716 > 96.83 > 125.43009999999995 > 5 > 1 > 1.09e-01 g/l > biotin > 0 $$$$