1530 -OEChem-10051721193D 29 31 0 0 0 0 0 0 0999 V2000 -2.7071 0.9881 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2666 -1.1677 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0085 -2.0590 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0061 0.4917 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9006 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 -0.3480 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1889 0.6902 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 0.0669 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1556 -0.0602 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 2.4280 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2864 -1.6632 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 0.0792 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8407 0.0793 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2069 0.3571 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2077 0.3575 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8906 0.4963 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1093 1.7323 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8646 2.9070 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 2.7223 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3924 2.7212 0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9925 -2.4913 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 -0.0260 -2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3237 -0.0257 2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 1.4715 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7771 -0.1685 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7389 0.4652 -2.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7403 0.4659 2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9549 0.7128 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 12 2 0 0 0 0 4 9 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 18 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 M END > DB08398 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UQVKZNNCIHJZLS-UHFFFAOYSA-N/SDF?record_type=3d > CN1C(N)=NC2=NC=C(C=C12)C1=CC=CC=C1 > InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16) > UQVKZNNCIHJZLS-UHFFFAOYSA-N > C13H12N4 > 224.2612 > 224.106196404 > 3 > 29 > 0.012923838256683595 > 24.676243540355088 > 1 > 1 > 0 > 1 > 1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine > 2.27 > 2.093061605 > -2.73 > 0 > 0 > 3 > 0 > 5.1170491311793 > 56.730000000000004 > 68.59100000000001 > 1 > 1 > 4.16e-01 g/l > biotin > 0 $$$$