Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2[C@H]1C[C@H](CN2CCC2)C1
SMILES: Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2[C@H]1C[C@H](CN2CCC2)C1

Molecular Processing

Molecular formula
C29H28N6
Molecular weight
460.59
Exact mass
460.2375
XLogP
5.55
TPSA
72.86
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
35
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
140.93

Supplementary Information

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