5482 -OEChem-10051719273D 36 38 0 1 0 0 0 0 0999 V2000 -1.7343 -1.4552 -2.6992 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.8775 -0.3380 0.5497 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9307 3.3780 1.2951 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5762 4.7242 0.4698 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 0.1654 0.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 -2.3552 0.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 -3.1982 -0.2785 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0335 -1.0815 -0.2021 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6364 -2.1475 0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4423 -0.9030 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2556 1.1701 -0.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3153 -1.0532 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 -0.5783 1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0618 -1.6884 1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 2.4517 -0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 -3.2493 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6869 -0.8785 -0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3123 -0.4037 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1854 -0.5537 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2158 -2.2275 0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2039 2.8046 -1.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 3.3915 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6518 4.0259 -0.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3235 -1.3747 -1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 -1.8687 1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1436 -3.1171 0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8216 1.3553 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 0.8702 -1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2798 -0.4424 2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8837 -0.9175 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -3.9068 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3694 -0.9951 -1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 -0.1473 2.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 -1.9653 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 2.2058 -1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 4.5414 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 19 1 0 0 0 0 3 22 1 0 0 0 0 4 22 1 0 0 0 0 4 23 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 14 1 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 29 1 0 0 0 0 14 20 2 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 23 36 1 0 0 0 0 M END > DB01007 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QXHHHPZILQDDPS-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=CS1 > InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2 > QXHHHPZILQDDPS-UHFFFAOYSA-N > C16H13Cl3N2OS > 387.711 > 385.981416859 > 2 > 36 > 0.2307106920525061 > 36.842062059055976 > 1 > 0 > 0 > 1 > 1-{2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole > 4.86 > 5.298761608666666 > -4.37 > 1 > 0 > 3 > 0 > 6.476978025530997 > 27.05 > 94.52850000000002 > 6 > 0 > 1.65e-02 g/l > biotin > 1 $$$$