4723 -OEChem-10051719323D 21 22 0 1 0 0 0 0 0999 V2000 1.3847 -0.7917 0.8475 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 2.2988 -0.6638 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 0.5249 -0.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 -1.6305 -0.0238 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 0.4056 0.7930 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7891 0.0736 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3427 1.2085 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8365 0.9400 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 -1.1030 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4438 -0.5962 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 0.6298 0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3469 -1.4131 -0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3942 -0.5467 -0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6504 0.8938 1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6492 1.8600 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2538 -1.7960 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9544 1.3046 0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -2.3276 -1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4082 -0.7878 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 -2.4650 0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1535 -1.5985 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 M END > DB01230 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NRNCYVBFPDDJNE-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC(=O)C(O1)C1=CC=CC=C1 > InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12) > NRNCYVBFPDDJNE-UHFFFAOYSA-N > C9H8N2O2 > 176.172 > 176.05857751 > 4 > 21 > 1.5616588083433478e-08 > 17.040561195958638 > 1 > 1 > 0 > 1 > 2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-one > 0.52 > 0.800027732 > -2.26 > 0 > 0 > 2 > 0 > 19.01805363104564 > 15.333685829721324 > -0.6934448988198831 > 64.67999999999999 > 45.70230000000001 > 1 > 1 > 9.79e-01 g/l > biotin > 0 $$$$