6918248 -OEChem-10051720443D 49 52 0 0 0 0 0 0 0999 V2000 7.5874 -1.7383 0.1808 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8564 -2.4893 1.2501 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9241 -2.6039 -0.9204 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1806 2.7182 0.6622 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 1.3755 -0.0952 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1585 1.0063 -0.1827 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2536 0.5348 0.4743 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4716 0.8266 0.0727 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 0.1920 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 1.7744 -1.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 0.4800 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 2.1143 -0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0656 1.1055 -0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8739 0.7763 0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 0.9044 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8112 -0.7122 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2822 1.5207 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1861 -0.3508 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1704 -0.5246 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 2.0543 -0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5761 -0.4519 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2264 -1.9577 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7568 1.9533 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0078 -1.5607 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3615 0.7002 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0569 -3.0263 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4322 -2.8300 -0.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2232 -1.7911 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0766 -0.6615 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5674 -0.1138 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3609 2.6610 -1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0834 0.9750 -2.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3959 1.2118 1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8153 -0.4486 1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 2.3177 -1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5605 3.0249 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1392 0.2870 -1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 1.9919 -0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8371 1.6266 1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5243 -0.1027 1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5858 -1.2585 -0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 3.0483 -0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3910 1.2344 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 -2.1191 0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3684 2.8503 -0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0636 -1.4082 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4456 0.6420 0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6377 -4.0254 -0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0512 -3.6807 -0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 17 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 43 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 18 21 2 0 0 0 0 18 41 1 0 0 0 0 19 24 2 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 25 1 0 0 0 0 21 28 1 0 0 0 0 22 26 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 27 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 M END > DB04908 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PPRRDFIXUUSXRA-UHFFFAOYSA-N/SDF?record_type=3d > FC(F)(F)C1=CC(=CC=C1)N1CCN(CCN2C(=O)NC3=CC=CC=C23)CC1 > InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28) > PPRRDFIXUUSXRA-UHFFFAOYSA-N > C20H21F3N4O > 390.4021 > 390.166745929 > 3 > 49 > 0.5180493120136946 > 38.69439137259427 > 1 > 1 > 0 > 1 > 1-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one > 3.32 > 3.8251415389999996 > -3.34 > 0 > 1 > 4 > 0 > 12.910018203136506 > 7.031385381184146 > 38.82000000000001 > 103.65210000000002 > 5 > 1 > 1.78e-01 g/l > tetrahydrofolic acid > 1 $$$$