65863 -OEChem-10051719303D 42 45 0 1 0 0 0 0 0999 V2000 -2.9484 1.3690 -2.5739 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -1.0440 0.2440 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9851 5.6894 0.4883 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -2.0745 -1.3310 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6043 -0.7213 -0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8115 -2.4448 0.7545 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5105 -4.4289 0.0892 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9519 -0.2796 -0.1676 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7681 -0.9967 0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9721 1.2263 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1853 -0.1528 -1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -0.6395 -1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 0.0177 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4074 2.0310 -1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 1.7726 1.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8188 -0.6701 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 -1.7777 -1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 -3.3296 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7426 -3.1358 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 1.1977 0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4115 3.4166 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5449 3.1580 1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9699 -0.2133 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9803 3.9800 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3814 -4.5566 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6933 1.6532 1.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 0.9538 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -0.6253 -1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3532 -0.8253 1.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8061 -0.6421 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2299 -0.4499 -2.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 0.9407 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1835 1.1527 1.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4724 -2.4533 -2.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0857 -3.0338 1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -2.6591 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6297 1.7629 0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7507 4.0592 -1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2025 3.5834 2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6413 2.5599 1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9509 -5.5252 1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7607 1.3299 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 19 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 14 2 0 0 0 0 10 15 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 12 17 2 0 0 0 0 13 16 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 2 0 0 0 0 15 33 1 0 0 0 0 16 23 1 0 0 0 0 17 34 1 0 0 0 0 18 25 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 26 2 0 0 0 0 20 37 1 0 0 0 0 21 24 2 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 27 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 42 1 0 0 0 0 M END > DB01153 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JLGKQTAYUIMGRK-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CSC2=C1C=CC=C2Cl > InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2 > JLGKQTAYUIMGRK-UHFFFAOYSA-N > C20H15Cl3N2OS > 437.77 > 435.997066923 > 2 > 42 > 0.23071069491712085 > 42.93192551380662 > 1 > 0 > 0 > 0 > 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole > 5.74 > 6.228348480333333 > -4.84 > 1 > 0 > 4 > 0 > 6.476978032540593 > 27.05 > 111.60290000000002 > 6 > 0 > 6.37e-03 g/l > tetrahydrofolic acid > 1 $$$$