448768 -OEChem-11231911303D 35 36 0 0 0 0 0 0 0999 V2000 0.5389 1.1270 -0.9722 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7385 -1.8872 0.4958 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2553 -2.6075 -0.9303 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7519 -2.4622 1.1857 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2302 2.5278 0.4153 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9403 2.9462 -0.0311 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4692 0.2201 0.5388 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6292 -0.2758 -0.3565 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8501 2.0790 -0.4694 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8596 -2.0518 -0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3939 -0.6290 -0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3412 -2.0492 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9264 0.2663 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9115 -1.1258 0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 1.4046 0.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 1.2720 0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 0.9893 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9504 -0.4612 -0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7585 0.6049 0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4266 -1.8637 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1947 1.9761 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1351 -2.6520 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3252 -2.5226 0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4885 -0.6438 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0396 -0.2165 -1.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8758 -1.7152 -1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 -3.0680 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3564 -0.0701 1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2699 1.2916 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8246 -1.1418 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -1.5025 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 2.2015 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 0.4762 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -1.0937 -0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8086 0.5285 0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 5 15 2 0 0 0 0 6 21 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 34 1 0 0 0 0 9 17 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 M END > DB03009 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UDBHGUOSOKOIAX-UHFFFAOYSA-N/SDF?record_type=3d > [H]N1C(SCC(=O)N2CCCCC2)=NC(=O)C=C1C(F)(F)F > InChI=1S/C12H14F3N3O2S/c13-12(14,15)8-6-9(19)17-11(16-8)21-7-10(20)18-4-2-1-3-5-18/h6H,1-5,7H2,(H,16,17,19) > UDBHGUOSOKOIAX-UHFFFAOYSA-N > C12H14F3N3O2S > 321.319 > 321.075882012 > 4 > 35 > 28.391115652795996 > 1 > 1 > 0 > 1 > 2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6-(trifluoromethyl)-1,4-dihydropyrimidin-4-one > 1.68 > 0.9816194243333329 > -3.74 > 0 > 2 > -1 > 19.133043550349118 > 5.511746184216613 > -3.3808756523490016 > 61.77 > 73.57939999999999 > 4 > 1 > 5.84e-02 g/l > N-(3-{[4-(benzyloxy)-3,5-dimethoxyphenyl]formamido}-2-hydroxy-4-phenylbutyl)-3-(1,3-dioxoisoindol-2-yl)-N-{2-[(5S)-hexahydro-2H-1,3-benzodioxol-5-yl]ethyl}propanamide > 0 $$$$