SMILES:
c1ccc(C[C@@H]2CN3C(c4nnn[nH]4)=Nc4nc(C5CCCC5)[nH]c4C3=N2)cc1Molecular Processing
Molecular formula
C20H21N9
Molecular weight
387.45
Exact mass
387.192
XLogP
2.35
TPSA
111.1
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
29
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
107.35
Supplementary Information
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