SMILES:
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C)c(N3CCC[C@H](N)C3)n2)n1Molecular Processing
Molecular formula
C22H24N8
Molecular weight
400.49
Exact mass
400.2124
XLogP
2.82
TPSA
98.64
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
116.58
Supplementary Information
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