5360410 -OEChem-10051722103D 29 30 0 1 0 0 0 0 0999 V2000 -3.1223 2.1950 0.9683 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 -1.7334 0.1485 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5655 1.3293 0.4308 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1804 -0.8647 0.0634 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0087 0.8598 -0.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9268 -0.1227 -0.3404 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0133 -0.9114 0.2007 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 1.4632 -0.2385 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9542 0.3158 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5934 0.7747 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8184 -0.6395 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 1.3329 -0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8035 -1.5032 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -2.1469 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 0.4565 -0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5836 -1.0041 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1925 0.1986 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 2.1483 -1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 0.4688 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3155 0.1934 -1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 2.3902 -0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9501 -2.5617 0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3943 -2.7629 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7693 -2.6845 -0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9027 -2.0248 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 2.9185 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7434 -1.0326 -0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9723 -0.8345 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6836 -1.8355 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 26 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 15 2 0 0 0 0 6 17 1 0 0 0 0 6 27 1 0 0 0 0 7 17 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 13 16 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 M END > DB09012 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XSXCZNVKFKNLPR-SDQBBNPISA-N/SDF?record_type=3d > CN1CC(O)C2=C\C(=N\NC(N)=O)C(=O)C=C12 > InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6- > XSXCZNVKFKNLPR-SDQBBNPISA-N > C10H12N4O3 > 236.231 > 236.090940262 > 5 > 29 > 23.088957709174483 > 1 > 3 > 0 > 0 > {[(5Z)-3-hydroxy-1-methyl-6-oxo-2,3,5,6-tetrahydro-1H-indol-5-ylidene]amino}urea > -0.47 > -1.2234083796666664 > -1.91 > 0 > 2 > 0 > 14.125876783565523 > 11.640177343591024 > 1.9761649317534462 > 108.02 > 62.1557 > 1 > 1 > 2.91e+00 g/l > carbazochrome > 0 $$$$