6918191 -OEChem-10061700303D 36 39 0 1 0 0 0 0 0999 V2000 4.6468 -3.5938 0.2846 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0986 2.0877 0.0367 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -1.5245 0.9060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4411 2.3176 1.1503 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 -0.4947 -0.4038 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6079 -1.4157 0.5508 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0118 3.9083 0.6648 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 0.8631 -0.7572 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6941 0.5421 -0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7599 -0.2780 -0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1507 -0.4258 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5211 -0.6767 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5746 1.2146 -1.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4194 -0.0259 -0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9487 0.9423 -1.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1658 -1.0489 -1.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1963 -0.4738 0.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 2.9916 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -2.0847 -1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 -1.5096 1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9234 -2.4568 1.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 -2.3150 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0379 3.4565 1.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9787 1.1942 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5002 -0.9581 0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2036 1.9665 -2.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6249 1.4695 -2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -0.8770 -2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8634 0.1217 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6556 2.9714 -1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3982 -2.7050 -2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4506 -1.6803 2.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7751 -2.6469 2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6055 -3.3824 1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1042 -2.0271 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7545 3.9731 2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 3 21 1 0 0 0 0 4 23 2 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 7 18 2 0 0 0 0 7 23 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 11 2 0 0 0 0 9 13 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 15 27 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 22 2 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 23 36 1 0 0 0 0 M END > DB13767 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XLMPPFTZALNBFS-INIZCTEOSA-N/SDF?record_type=3d > CN1N=NC2=CC=C(C=C12)[C@@H](N1C=NC=N1)C1=CC=C(Cl)C=C1 > InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1 > XLMPPFTZALNBFS-INIZCTEOSA-N > C16H13ClN6 > 324.77 > 324.0890221 > 4 > 36 > 32.53554985004326 > 1 > 0 > 0 > 1 > 6-[(S)-(4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl]-1-methyl-1H-1,2,3-benzotriazole > 2.53 > 3.2790566353333332 > -3.20 > 0 > 4 > 0 > 2.183524035438382 > 61.42 > 111.05180000000001 > 3 > 1 > 2.04e-01 g/l > vorozole > 0 $$$$