4514 -OEChem-10061700243D 50 52 0 0 0 0 0 0 0999 V2000 -3.9535 1.9511 1.7966 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8857 1.9496 1.3106 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0847 -4.9966 0.4404 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8251 -3.7273 0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3954 0.0796 -1.2373 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 0.6778 1.3502 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8598 2.3875 1.0133 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -3.8661 0.3381 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3021 1.0173 -0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2317 1.3861 0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4143 -0.3151 -2.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6764 0.6727 -0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6946 -0.4423 1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 -0.3051 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6422 1.2757 2.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 -0.9893 -3.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8247 -0.2885 -1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -1.7030 1.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 2.3279 2.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4112 -1.4415 0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2752 1.0030 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8383 -2.7089 0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5033 -2.8395 0.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 1.2589 -0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 1.6862 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1389 1.0485 -1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6433 1.9147 -0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 1.2769 -2.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4107 1.7099 -2.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3294 0.6143 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4349 1.9384 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 0.5366 -3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1916 -1.0633 -2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8659 1.6176 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7063 0.8778 0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1558 0.9193 3.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8067 -1.7486 -2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -0.2760 -3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 -1.4965 -4.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6118 -1.2912 -0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0832 -0.3603 -2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7239 0.0720 -0.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -1.8203 1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8674 3.0456 3.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4614 -1.3387 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9835 -3.8104 1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 0.7180 -2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6248 2.2524 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9771 1.1189 -3.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2044 1.8881 -2.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 21 2 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 10 2 0 0 0 0 7 19 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 17 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 19 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 23 2 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 22 2 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M CHG 2 3 -1 8 1 M END > DB13546 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WZGBZLHGOVJDET-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)CC1=NC=CN1C1=C(C=C(C=C1)N(=O)=O)C(=O)C1=CC=CC=C1Cl > InChI=1S/C21H21ClN4O3/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22/h5-13H,3-4,14H2,1-2H3 > WZGBZLHGOVJDET-UHFFFAOYSA-N > C21H21ClN4O3 > 412.87 > 412.1302183 > 5 > 50 > 41.25349661187916 > 1 > 0 > 0 > 1 > ({1-[2-(2-chlorobenzoyl)-4-nitrophenyl]-1H-imidazol-2-yl}methyl)diethylamine > 4.20 > 4.467971338666667 > -4.75 > 1 > 3 > 0 > 6.730417942105125 > 83.94999999999999 > 124.07829999999996 > 8 > 1 > 7.33e-03 g/l > nizofenone > 0 $$$$