SMILES:
N#CCc1cn(Cc2cccc(Sc3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)c2)cn1Molecular Processing
Molecular formula
C26H25N7OS
Molecular weight
483.6
Exact mass
483.1841
XLogP
4.52
TPSA
91.89
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
136
Supplementary Information
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