SMILES:
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)c(CO)c3)nc2n1-c1ccccn1Molecular Processing
Molecular formula
C25H28N8O2
Molecular weight
472.55
Exact mass
472.2335
XLogP
2.15
TPSA
104.34
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
136.47
Supplementary Information
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