6102824 -OEChem-10051721173D 46 49 0 1 0 0 0 0 0999 V2000 3.3416 -1.5839 -1.7884 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 1.8979 2.1189 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1744 0.4949 -1.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9329 0.3364 -0.6393 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 3.1590 -1.7556 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4045 3.0113 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7637 2.8983 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4505 4.2399 0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0811 2.4990 -0.5277 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1265 1.0210 -0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7751 -1.0762 -0.9986 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3271 0.9304 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3215 -0.1764 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7035 -1.2787 -0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5882 -2.0192 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 -0.0070 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9779 -3.2609 -0.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9465 -1.6458 1.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7199 -0.7278 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1815 0.8814 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7267 -4.1296 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6951 -2.5147 1.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0851 -3.7565 1.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 1.0461 1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0783 -0.5629 -0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 0.3240 0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1984 2.8870 -0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 2.4699 2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7962 2.6848 1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5207 4.7138 1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2730 4.9284 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3411 2.7092 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0755 -1.1794 -2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7538 2.8231 -2.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5561 4.1585 -1.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 1.2088 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5815 1.8043 -0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1836 -2.2226 -1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7035 -3.5628 -1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6468 -0.6941 1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 1.4543 1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0299 -5.0967 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9714 -2.2261 2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6671 -4.4334 2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8165 -1.1251 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 0.4525 0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 24 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 18 22 2 0 0 0 0 18 40 1 0 0 0 0 19 25 1 0 0 0 0 20 24 2 0 0 0 0 20 41 1 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 M END > DB08244 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VCOUEHUEFUDZIS-PMACEKPBSA-N/SDF?record_type=3d > [H][C@](N)(C1CC1)C(=O)N1CC(=C[C@@]1([H])C1=CC=CC=C1)C1=CC(F)=CC=C1F > InChI=1S/C21H20F2N2O/c22-16-8-9-18(23)17(11-16)15-10-19(13-4-2-1-3-5-13)25(12-15)21(26)20(24)14-6-7-14/h1-5,8-11,14,19-20H,6-7,12,24H2/t19-,20-/m0/s1 > VCOUEHUEFUDZIS-PMACEKPBSA-N > C21H20F2N2O > 354.3931 > 354.154369682 > 2 > 46 > 0.9686184704477522 > 36.47733370142534 > 1 > 1 > 0 > 1 > (2S)-2-amino-2-cyclopropyl-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]ethan-1-one > 3.04 > 3.4267008893333335 > -4.60 > 0 > 1 > 4 > 1 > 8.489478638507917 > 46.33 > 96.7485 > 4 > 1 > 8.84e-03 g/l > tetrahydrofolic acid > 0 $$$$