67462786 -OEChem-10051722413D 63 66 0 0 0 0 0 0 0999 V2000 -1.9679 -3.2645 2.7614 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1606 -3.8107 -1.8282 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7659 0.5243 -0.2245 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0885 2.1383 -0.7845 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 0.4250 -0.1637 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0912 3.1169 0.5221 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7532 -1.3421 -0.5486 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5860 -0.3232 -0.2761 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8218 1.2335 -0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0356 1.4300 -0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2594 2.3238 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 1.1833 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0359 -0.8541 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6634 0.4888 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5073 2.5270 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0845 1.0410 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0892 3.4888 -0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8935 1.1166 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4703 -1.6673 -1.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -1.3908 1.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9215 2.4797 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 3.1647 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 -2.7407 1.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 -3.0173 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5667 -3.5540 0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1956 1.0806 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2228 2.4074 0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3993 0.3245 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4326 -1.0066 -0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7531 0.6922 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5219 -2.3765 3.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -3.1965 -3.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2921 -2.6422 -0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1069 0.7144 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4751 2.2123 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7378 1.9939 0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3982 0.4545 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9593 2.5931 1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7271 3.0444 -1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6572 -0.5636 -0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4162 3.1010 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4351 3.3035 -1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5103 4.4193 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3739 0.7117 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5464 0.2203 0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0053 1.2008 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9726 3.6516 0.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5437 -1.2348 -2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -0.7130 2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7255 4.2179 0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7738 -4.6060 0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1360 2.9682 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6538 -1.7319 -0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1795 1.6532 0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4443 -2.9608 4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2498 -1.5797 3.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5218 -1.9844 3.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6702 -3.9699 -3.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3543 -2.8405 -3.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0753 -2.4101 -3.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4735 -3.3403 -1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8862 -2.9869 -0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9161 -2.5455 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 31 1 0 0 0 0 2 24 1 0 0 0 0 2 32 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 39 1 0 0 0 0 5 18 2 0 0 0 0 5 26 1 0 0 0 0 6 21 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 33 1 0 0 0 0 8 30 2 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 38 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 40 1 0 0 0 0 15 22 2 0 0 0 0 15 41 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 47 1 0 0 0 0 18 21 1 0 0 0 0 19 24 1 0 0 0 0 19 48 1 0 0 0 0 20 23 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 M END > DB12147 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OLAHOMJCDNXHFI-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1 > InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3 > OLAHOMJCDNXHFI-UHFFFAOYSA-N > C25H30N6O2 > 446.555 > 446.24302423 > 7 > 63 > 50.9954558923817 > 1 > 1 > 0 > 0 > N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-N-{2-[(propan-2-yl)amino]ethyl}quinoxalin-6-amine > 3.57 > 3.5172529893333344 > -4.53 > 1 > 4 > 1 > 9.718006907296823 > 77.33 > 139.31910000000002 > 9 > 1 > 1.30e-02 g/l > N-(3,5-dimethoxyphenyl)-N-[2-(isopropylamino)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine > 0 $$$$