SMILES:
COc1cc(Nc2ncc3c(C)nc(-c4cccc(Nc5ccc(-n6ccnc6)cc5)c4)n3n2)cc(OC)c1OCMolecular Processing
Molecular formula
C30H28N8O3
Molecular weight
548.61
Exact mass
548.2284
XLogP
5.8
TPSA
112.65
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
41
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
157.18
Supplementary Information
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