5289419 -OEChem-10051720153D 29 31 0 0 0 0 0 0 0999 V2000 4.3496 -1.4952 0.0057 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9553 1.9838 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 2.3143 0.0131 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2919 -0.8056 1.0739 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8174 -0.6510 -0.5326 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1029 0.1304 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4996 1.4705 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3557 0.1488 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8069 1.5806 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0421 -0.8835 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8277 1.8481 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1997 -0.8841 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 -0.5231 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 0.8295 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6714 -0.7969 -0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5599 -0.7056 -1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6207 -0.7139 0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8978 -2.8470 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 3.3253 0.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6859 -1.9057 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1255 2.8900 0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 -1.8978 -0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8383 1.0879 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 -0.8650 2.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4144 -0.6716 -2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3872 -0.6971 1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3522 -3.0657 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3197 -3.1026 0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7876 -3.4851 -0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 9 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 4 24 1 0 0 0 0 5 16 1 0 0 0 0 5 17 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 10 13 2 0 0 0 0 10 20 1 0 0 0 0 11 14 2 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 M END > DB03428 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QNUKRWAIZMBVCU-WCIBSUBMSA-N/SDF?record_type=3d > COC1=CC=C2NC(=O)\C(=C/C3=CN=CN3)C2=C1 > InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4- > QNUKRWAIZMBVCU-WCIBSUBMSA-N > C13H11N3O2 > 241.2453 > 241.085126611 > 3 > 29 > 0.30246180107857534 > 24.93064695715608 > 1 > 2 > 0 > 1 > (3Z)-3-[(1H-imidazol-5-yl)methylidene]-5-methoxy-2,3-dihydro-1H-indol-2-one > 1.64 > 0.9090899720000001 > -2.87 > 0 > 0 > 3 > 0 > 12.828585348462486 > 11.594566049031094 > 6.637157750178688 > 67.01 > 69.0268 > 2 > 1 > 3.23e-01 g/l > tetrahydrofolic acid > 0 $$$$