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Structure details of probe T-10430 and control T-10404


T-10430 T-10404
2D structure 2D structure
IUPAC name 1-(6-(2-(1H-1,2,3,4-tetraazol-5-yl)-phenyl)-2,6-diaza-spiro[3.3]heptan-2-yl)-pentan-1-one 1-(7-(2-(1H-1,2,3,4-tetraazol-5-yl)-phenyl)-2,7-diaza-spiro[3.5]nonan-2-yl)-pentan-1-one
Molecular weight 326.19 g/mol 354.22 g/mol
SMILES CCCCC(N1CC2(C1)CN(C2)c1ccccc1c1nnn[nH]1)=O CCCCC(N1CC2(CCN(CC2)c2ccccc2c2nnn[nH]2)C1)=O
InChi InChI=1S/C17H22N6O/c1-2-3-8-15(24)23-11-17(12-23)9-22(10-17)14-7-5-4-6-13(14)16-18-20-21-19-16/h4-7H,2-3,8-12H2,1H3,(H,18,19,20,21) InChI=1S/C19H26N6O/c1-2-3-8-17(26)25-13-19(14-25)9-11-24(12-10-19)16-7-5-4-6-15(16)18-20-22-23-21-18/h4-7H,2-3,8-14H2,1H3,(H,20,21,22,23)
InChi key RIEBAXQZOMUWKX-UHFFFAOYSA-N FRDJKCFCJPPTGJ-UHFFFAOYSA-N
Molecular formular C17H22N6O C19H26N6O
Number of chiral centres 0 0
Number of rotational bonds 6 6
Number of hydrogen bond acceptors 5 5
Number of hydrogen bond donors 1 1