Cc1nc(N)nc(N[C@@H](C)c2nc3ccn(C)c3cc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1C#N
SMILES: Cc1nc(N)nc(N[C@@H](C)c2nc3ccn(C)c3cc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1C#N

Molecular Processing

Molecular formula
C26H35N9O2
Molecular weight
505.63
Exact mass
505.2914
XLogP
3.74
TPSA
138.22
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
143.26

Supplementary Information

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