24798742 -OEChem-10051721053D 30 33 0 0 0 0 0 0 0999 V2000 -0.7880 2.7225 -0.3702 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 -0.2949 0.2308 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -0.9249 -1.1395 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5101 0.6126 0.3541 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2561 -2.0033 0.3656 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1261 0.7509 -0.3421 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6355 -1.5710 0.0838 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 0.3096 1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3368 -0.9010 -0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 1.1677 1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7392 -0.4856 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1548 0.4506 0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9534 -0.6979 0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 0.2171 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2707 -0.2896 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9144 -0.2330 -0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0736 1.6120 -0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4086 1.9126 -0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 -2.3541 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 -0.5088 2.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1736 0.9284 1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0271 -0.6188 -1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2813 -1.9941 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 1.4119 2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 2.1122 0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9373 -1.6233 -1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -0.3926 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1309 0.6740 -0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9148 2.8473 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7696 -3.4071 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 3 16 1 0 0 0 0 3 26 1 0 0 0 0 4 12 1 0 0 0 0 4 16 2 0 0 0 0 5 13 2 0 0 0 0 5 19 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 28 1 0 0 0 0 7 15 1 0 0 0 0 7 19 2 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > DB07585 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YFFJXGRXFASBDL-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CNC2=C1C(=NC=N2)N1CCC2=C(C1)N=CN2 > InChI=1S/C12H11ClN6/c13-7-3-14-11-10(7)12(18-6-17-11)19-2-1-8-9(4-19)16-5-15-8/h3,5-6H,1-2,4H2,(H,15,16)(H,14,17,18) > YFFJXGRXFASBDL-UHFFFAOYSA-N > C12H11ClN6 > 274.709 > 274.073372089 > 4 > 30 > 0.5960452011483395 > 26.86035770399255 > 1 > 2 > 0 > 1 > 5-chloro-4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-7H-pyrrolo[2,3-d]pyrimidine > 1.62 > 1.2411687176666664 > -3.37 > 0 > 1 > 4 > 0 > 13.078123379594535 > 12.006621590692236 > 6.647297118429483 > 73.49000000000001 > 73.651 > 1 > 1 > 1.17e-01 g/l > biotin > 0 $$$$