10021692 -OEChem-05201910553D 55 56 0 1 0 0 0 0 0999 V2000 -5.5408 4.1370 0.2614 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 -1.9940 0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -3.0936 -0.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2258 -2.6578 0.2844 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 0.6490 -0.3060 N 0 0 1 0 0 0 0 0 0 0 0 0 0.9894 0.0946 -0.8432 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2249 0.5934 -0.0044 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8847 2.0565 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1961 2.6940 0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 1.5721 0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 0.0358 -1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.6535 -0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7844 -0.5462 -0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3115 -0.9413 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1432 -0.7370 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7320 -0.9049 0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5978 0.5551 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9601 0.7689 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9941 -1.8233 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4768 2.1545 0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3565 -1.6096 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8395 -0.3135 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8743 2.8160 -0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4384 4.2116 -0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7469 -4.0147 0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 -3.0490 -0.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0462 0.0095 0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 2.5829 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1215 2.1375 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1177 3.1259 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4697 3.4990 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 1.1074 1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 1.9632 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5441 0.6105 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -1.0046 -1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8976 -1.3126 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -1.1441 0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4864 0.9111 -1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -0.1605 -1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4817 -1.2984 1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7811 -0.8062 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9306 1.4117 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3389 2.1340 1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 2.7678 1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9025 -0.1526 0.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0085 2.8675 -1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6334 2.1989 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7366 4.6565 -1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7142 4.8709 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6359 -4.6186 0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8374 -3.5139 1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8853 -4.6876 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4163 -2.2322 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0456 -3.3493 -1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4709 -3.9042 -0.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 14 2 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 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 12 37 1 0 0 0 0 13 16 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 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 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 M END > DB15167 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OABRYNHZQBZDMG-INIZCTEOSA-N/SDF?record_type=3d > COC1=C(OC)C(=CC(CCCF)=C1)C(=O)NC[C@@H]1CCCN1CC=C > InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1 > OABRYNHZQBZDMG-INIZCTEOSA-N > C20H29FN2O3 > 364.461 > 364.216220965 > 4 > 55 > 40.088193444154896 > 1 > 1 > 0 > 1 > 5-(3-fluoropropyl)-2,3-dimethoxy-N-{[(2S)-1-(prop-2-en-1-yl)pyrrolidin-2-yl]methyl}benzamide > 2.76 > 2.8046504036666677 > -3.94 > 0 > 2 > 1 > 13.841433873532067 > 7.92613479265114 > 50.800000000000004 > 101.83229999999998 > 10 > 1 > 4.19e-02 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 $$$$