2094 -OEChem-11161919463D 14 15 0 0 0 0 0 0 0999 V2000 1.8177 1.8841 -0.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1033 -0.6662 -0.0227 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 0.6473 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0355 -1.8203 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0055 -0.4224 0.0069 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1352 0.5845 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 -0.7809 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 1.3787 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 0.7697 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 -1.5745 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2657 2.4553 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -1.3996 0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2696 1.0424 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0309 -2.4754 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 7 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 10 14 1 0 0 0 0 M END > DB00437 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OFCNXPDARWKPPY-UHFFFAOYSA-N/SDF?record_type=3d > OC1=NC=NC2=C1C=NN2 > InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10) > OFCNXPDARWKPPY-UHFFFAOYSA-N > C5H4N4O > 136.1115 > 136.03851077 > 4 > 14 > 11.69960765584824 > 1 > 2 > 0 > 0 > 1H-pyrazolo[3,4-d]pyrimidin-4-ol > -0.41 > 0.03115159166666659 > -0.79 > 0 > 2 > 0 > 13.007142054869755 > 8.469395654647746 > 1.2530594454947508 > 74.69 > 34.984399999999994 > 0 > 1 > 2.20e+01 g/l > cetrorelix > 0 $$$$