12412578 -OEChem-10051721143D 24 26 0 0 0 0 0 0 0999 V2000 1.5871 1.9975 -0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2439 1.9756 -0.0031 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0725 -0.6185 0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1095 -0.1428 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 0.6720 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1685 0.7582 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 0.2337 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 -1.5216 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 0.3603 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -1.9420 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 -1.0155 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0755 0.0259 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 0.0183 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 -0.3970 1.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 -0.4044 -1.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5773 -2.2537 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0503 2.8976 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 1.0813 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9406 -3.0052 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7876 -1.3687 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5901 0.1840 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.1704 -2.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -0.5748 2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9562 -0.5881 -2.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 5 2 0 0 0 0 3 14 2 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 7 1 0 0 0 0 6 9 2 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 M END > DB08113 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MSRXUUDVRNWSTN-UHFFFAOYSA-N/SDF?record_type=3d > N1N=C(C2=C1C=CC=C2)C1=CC=NC=C1 > InChI=1S/C12H9N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h1-8H,(H,14,15) > MSRXUUDVRNWSTN-UHFFFAOYSA-N > C12H9N3 > 195.22 > 195.079647303 > 2 > 24 > 0.0005918202505416741 > 20.592250185180426 > 1 > 1 > 0 > 1 > 3-(pyridin-4-yl)-1H-indazole > 2.39 > 2.111710949 > -2.90 > 0 > 0 > 3 > 0 > 13.703155065022791 > 3.77562344916033 > 41.57 > 58.680400000000006 > 1 > 1 > 2.48e-01 g/l > tetrahydrofolic acid > 0 $$$$