SMILES:
CC(COc1ccc(Oc2ccc3ncnc(Nc4ccn(C)n4)c3c2)nc1)OC1CCCCO1Molecular Processing
Molecular formula
C25H28N6O4
Molecular weight
476.54
Exact mass
476.2172
XLogP
4.6
TPSA
105.44
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
129.97
Supplementary Information
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