1783 -OEChem-10051721223D 49 51 0 0 0 0 0 0 0999 V2000 6.5600 -0.9363 -0.6930 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8277 1.7411 3.1137 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -1.8888 -0.0188 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 2.9674 0.1087 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6072 3.2736 0.7515 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 -0.2035 0.1649 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5822 1.3655 -1.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 -3.9232 -0.2396 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1562 5.0469 0.5599 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 0.6389 -2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4543 0.4664 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2601 -0.4809 -0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3759 0.9332 -0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -0.9245 1.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1027 0.5454 -3.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3539 1.9479 -2.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 1.5625 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4702 -1.9773 0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 -1.0266 0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9999 -3.2558 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7956 -1.6559 0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 -0.0900 1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9202 -1.2886 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 -4.1887 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6207 -2.6603 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 -0.6138 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8628 0.5848 1.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 3.7175 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0573 0.3231 1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -0.1774 -2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0337 -0.2291 1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7549 -1.3797 1.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 1.3562 -4.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 0.6053 -4.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5885 -0.4038 -4.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7239 2.8264 -2.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 1.9928 -2.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7372 2.0137 -1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0137 1.2219 0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4085 1.3774 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9809 -3.5563 0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2043 -0.6733 0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7723 0.1155 2.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -2.0183 -1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5974 -5.2098 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6706 -2.4700 -0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9665 0.8498 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8341 5.7512 0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2192 5.3659 0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 17 1 0 0 0 0 4 28 1 0 0 0 0 5 28 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 24 2 0 0 0 0 8 25 1 0 0 0 0 9 28 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 41 1 0 0 0 0 21 25 2 0 0 0 0 21 42 1 0 0 0 0 22 27 1 0 0 0 0 22 43 1 0 0 0 0 23 26 2 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 29 1 0 0 0 0 27 29 2 0 0 0 0 29 47 1 0 0 0 0 M END > DB08502 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YQXCVAGCMNFUMQ-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)C1=C(SC2=CC(Cl)=CC(Cl)=C2)N(CC2=CC=NC=C2)C(COC(N)=O)=N1 > InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27) > YQXCVAGCMNFUMQ-UHFFFAOYSA-N > C20H20Cl2N4O2S > 451.369 > 450.068402008 > 3 > 49 > 0.028543544359373743 > 45.43414012145611 > 1 > 1 > 0 > 1 > {5-[(3,5-dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}methyl carbamate > 4.76 > 4.859671229666667 > -5.07 > 1 > 0 > 3 > 0 > 14.86159202461116 > 5.472198696569444 > 83.03 > 115.67619999999998 > 8 > 1 > 3.87e-03 g/l > tetrahydrofolic acid > 0 $$$$