9949641 -OEChem-01051815253D 45 47 0 0 0 0 0 0 0999 V2000 -0.2493 -2.1355 0.8838 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0963 2.9143 -0.7194 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0403 1.2174 0.0153 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9802 1.7838 0.6214 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 1.2686 -0.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -0.4901 0.2585 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9164 -1.2393 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3174 0.0578 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2194 -1.9041 -1.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 -2.2823 0.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4435 -1.2084 -0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0678 0.4462 0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -0.3947 0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 2.2262 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 -0.0060 0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4501 -0.9799 0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0038 0.7845 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 1.7584 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2656 1.1734 -0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4134 0.3325 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8704 -0.4673 -1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1121 0.2853 0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9890 -1.2865 -1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2307 -0.5342 1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6691 -1.3200 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2779 -1.2445 -2.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 -2.1029 -1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6899 -2.8586 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8047 -2.5752 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3728 -3.2031 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2721 -1.8696 1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0466 -0.8310 0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6160 -0.5540 -1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8184 -2.2054 -0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0194 1.3258 -0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0972 -1.4209 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5262 3.2520 0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1357 1.9183 -0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4818 -1.1401 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4878 2.1870 -0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3538 -0.4550 -2.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 0.8910 1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3305 -1.8985 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7604 -0.5604 2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5401 -1.9581 0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 18 2 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 3 35 1 0 0 0 0 4 12 1 0 0 0 0 4 14 2 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 5 38 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 15 2 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END > DB05992 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UNRCMCRRFYFGFX-TYPNBTCFSA-N/SDF?record_type=3d > CC(C)(C)C1=C(\C=C2/NC(=O)\C(NC2=O)=C\C2=CC=CC=C2)N=CN1 > InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10- > UNRCMCRRFYFGFX-TYPNBTCFSA-N > C19H20N4O2 > 336.395 > 336.1586259 > 3 > 45 > 37.16052453327947 > 1 > 3 > 0 > 1 > (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylidene)piperazine-2,5-dione > 3.12 > 1.8065720955320008 > -4.19 > 0 > 3 > -1 > 9.863401282640234 > 7.047687777009444 > 6.228446890366915 > 86.88 > 98.02090000000001 > 3 > 1 > 2.18e-02 g/l > (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylidene)piperazine-2,5-dione > 0 $$$$