24864077 -OEChem-10051721153D 30 31 0 0 0 0 0 0 0999 V2000 -6.2786 -1.0057 0.0218 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2028 -1.1659 -0.0074 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4818 -0.6953 0.0163 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0633 0.8152 -0.0229 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4335 2.2047 0.0048 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -0.8872 -0.0056 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6841 2.6967 0.0173 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3774 0.8419 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6822 0.4126 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1151 0.0571 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3806 0.3553 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4425 1.5973 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6409 -1.0150 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4372 1.2660 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4569 -1.3692 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9576 -1.4747 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7542 0.8062 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0143 -0.5642 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5233 -2.8758 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9789 1.8274 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6697 2.8684 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5157 1.7211 0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3891 -1.5878 -0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8792 -1.7817 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2496 2.3367 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1621 -2.5413 0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5772 1.5147 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -3.2662 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0877 -3.2679 0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5647 -3.2013 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 10 2 0 0 0 0 3 15 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 23 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 14 17 2 0 0 0 0 14 25 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > DB08136 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CWQKPKYIMQTGJK-UHFFFAOYSA-N/SDF?record_type=3d > CC(=O)NC1=CNN=C1C(=O)NC1=CC=C(F)C=C1 > InChI=1S/C12H11FN4O2/c1-7(18)15-10-6-14-17-11(10)12(19)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17)(H,15,18)(H,16,19) > CWQKPKYIMQTGJK-UHFFFAOYSA-N > C12H11FN4O2 > 262.2397 > 262.086603821 > 3 > 30 > -0.0035430872982187304 > 24.792452965260786 > 1 > 3 > 0 > 1 > 4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide > 1.61 > 1.1355772429999997 > -3.35 > 0 > 0 > 2 > 0 > 12.556887403705202 > 9.449414675559513 > -0.3146353398858876 > 86.88 > 69.9863 > 3 > 1 > 1.18e-01 g/l > tetrahydrofolic acid > 0 $$$$