25218427 -OEChem-10051721113D 31 33 0 0 0 0 0 0 0999 V2000 -0.1433 1.9098 -1.7048 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2039 0.9709 0.9175 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -0.8527 1.3819 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5611 -0.6436 0.1513 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5967 1.9355 0.5799 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 -3.8811 -1.2298 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4585 0.1888 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7906 -0.3723 1.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5885 0.0069 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 0.8122 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5493 0.4841 -1.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2422 1.2794 -1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0907 -0.5183 2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3353 1.1240 -2.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0099 0.4062 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0528 -0.8959 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1881 1.1403 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -1.4638 -0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4093 0.5724 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 -0.7297 -0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6165 1.3247 0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 -2.7978 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 -1.3375 2.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 0.3771 -2.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7956 0.4600 3.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7218 -1.0007 3.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1896 -1.1284 2.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2216 1.5234 -3.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1428 -1.4845 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 2.1552 1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4055 -1.1730 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 23 1 0 0 0 0 4 9 2 0 0 0 0 5 21 3 0 0 0 0 6 22 3 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 14 2 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 31 1 0 0 0 0 M END > DB07935 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JYAHFMKZJRVTDT-UHFFFAOYSA-N/SDF?record_type=3d > CC1=NNC2=C1C(OC1=CC(=CC(=C1)C#N)C#N)=C(F)C=C2 > InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21) > JYAHFMKZJRVTDT-UHFFFAOYSA-N > C16H9FN4O > 292.2673 > 292.076039135 > 3 > 31 > 8.04439390366444e-05 > 27.812402593847715 > 1 > 1 > 0 > 1 > 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile > 3.14 > 2.7828593533333335 > -4.27 > 0 > 0 > 3 > 0 > 14.327647425721139 > 2.90578210319899 > 85.49 > 78.56500000000003 > 2 > 1 > 1.58e-02 g/l > tetrahydrofolic acid > 0 $$$$