3401 -OEChem-10061700223D 42 45 0 1 0 0 0 0 0999 V2000 0.3985 -0.6795 2.4303 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9491 1.8574 0.2885 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 0.0447 -1.6846 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 -0.2694 -3.4119 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3377 0.0161 -0.2081 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1737 0.5426 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1169 -1.5040 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3955 0.7966 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 1.6441 0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 -0.1781 -0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 -1.6738 1.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3043 -2.4369 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 0.5571 -2.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5979 2.1401 0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1825 0.1832 1.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9037 -0.4420 -2.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 0.3524 -3.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6507 2.1009 0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 0.2785 -0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 -2.9947 1.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1129 -3.7575 -0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5873 2.8702 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1719 0.9134 2.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 1.4182 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -4.0364 1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3742 2.2568 1.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5901 2.1778 1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9283 -1.0542 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5087 -2.3138 -1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9367 1.0693 -2.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0135 2.6424 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1216 -0.8673 1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6768 -0.9009 -1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5778 0.6352 -4.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 2.9803 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2245 -0.2500 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7052 -3.2114 2.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2293 -4.5689 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 3.9150 0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7944 0.4332 2.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -5.0644 1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1473 2.8242 2.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 24 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 16 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 18 1 0 0 0 0 9 27 1 0 0 0 0 10 19 2 0 0 0 0 10 28 1 0 0 0 0 11 20 2 0 0 0 0 12 21 1 0 0 0 0 12 29 1 0 0 0 0 13 17 2 0 0 0 0 13 30 1 0 0 0 0 14 22 1 0 0 0 0 14 31 1 0 0 0 0 15 23 2 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 24 2 0 0 0 0 18 35 1 0 0 0 0 19 24 1 0 0 0 0 19 36 1 0 0 0 0 20 25 1 0 0 0 0 20 37 1 0 0 0 0 21 25 2 0 0 0 0 21 38 1 0 0 0 0 22 26 2 0 0 0 0 22 39 1 0 0 0 0 23 26 1 0 0 0 0 23 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END > DB13425 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QHMWCHQXCUNUAK-UHFFFAOYSA-N/SDF?record_type=3d > FC1=CC=C(C=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1F > InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H > QHMWCHQXCUNUAK-UHFFFAOYSA-N > C22H16F2N2 > 346.381 > 346.128154849 > 1 > 42 > 34.59153802306549 > 1 > 0 > 0 > 1 > 1-[(2-fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole > 4.73 > 5.520810867 > -5.59 > 0 > 4 > 0 > 6.623542222318094 > 17.82 > 99.3925 > 4 > 0 > 8.94e-04 g/l > flutrimazole > 1 $$$$