{"PropertyTable":{"Properties":[{"CID":10096344,"MolecularFormula":"C25H28N8O2","MolecularWeight":"472.5","SMILES":"CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C","ConnectivitySMILES":"CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C","InChI":"InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1","InChIKey":"LTXREWYXXSTFRX-QGZVFWFLSA-N","ExactMass":"472.23352217","MonoisotopicMass":"472.23352217","TPSA":113,"Charge":0,"HBondDonorCount":1,"HBondAcceptorCount":7,"RotatableBondCount":4,"HeavyAtomCount":35,"Title":"Linagliptin"}]}}