25102845 -OEChem-10051721263D 50 53 0 1 0 0 0 0 0999 V2000 2.7138 4.0705 -0.1281 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2245 2.6877 1.4777 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3179 -0.0813 1.6566 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0608 -1.4330 -0.8205 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -0.0950 -2.4334 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1872 -1.2389 2.0398 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7015 0.7282 -0.2975 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 -0.9694 0.1653 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9561 -0.7702 -0.2606 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 0.5607 -0.6198 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6559 1.9800 -0.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 2.7685 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 2.1038 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7553 -0.1871 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -1.7516 1.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4067 -1.1400 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4486 -2.6831 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7267 -1.8605 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 -0.2841 -0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6638 0.0982 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5692 -1.0928 -0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8012 -0.3124 -1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6086 -0.8795 0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1065 -0.1226 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9900 -0.4655 0.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2983 0.3135 -1.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0595 -0.3902 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3961 0.3972 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2777 0.0489 1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1869 0.0116 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 2.0620 -0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 2.3529 -1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 2.1049 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7866 2.5652 -0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8953 -2.2826 1.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 -1.0566 1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5402 -0.1777 -1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7149 -1.7597 -1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8849 -3.5850 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3587 -2.9888 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5206 -1.1322 -0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0324 -2.4701 -1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9411 0.9202 -0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7681 0.4481 0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 -1.4605 -1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3037 -1.9095 0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3895 0.5819 -2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9688 -0.6575 2.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3555 0.7357 -0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1476 0.1237 1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 3 14 2 0 0 0 0 4 19 2 0 0 0 0 5 22 2 0 0 0 0 6 23 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M END > DB08739 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZSXNPAWXICXNGZ-HNNXBMFYSA-N/SDF?record_type=3d > [H][C@]1(CC(F)(F)CN1C(=O)CCN1C(=O)C2=C(C=CC=C2)C1=O)C(=O)N1CCCC1 > InChI=1S/C20H21F2N3O4/c21-20(22)11-15(19(29)23-8-3-4-9-23)25(12-20)16(26)7-10-24-17(27)13-5-1-2-6-14(13)18(24)28/h1-2,5-6,15H,3-4,7-12H2/t15-/m0/s1 > ZSXNPAWXICXNGZ-HNNXBMFYSA-N > C20H21F2N3O4 > 405.3952 > 405.150012585 > 4 > 50 > 5.72612736506952e-10 > 39.67120450573236 > 1 > 0 > 0 > 1 > 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3-oxopropyl}-2,3-dihydro-1H-isoindole-1,3-dione > 1.48 > 0.8080721386666675 > -3.01 > 0 > 0 > 4 > 0 > 17.503706331485137 > -2.2107882351766994 > 78.0 > 98.7484 > 4 > 1 > 4.00e-01 g/l > biotin > 0 $$$$