SMILES:
COc1cnc2c(NCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1Molecular Processing
Molecular formula
C19H16N8OS
Molecular weight
404.46
Exact mass
404.1168
XLogP
3.12
TPSA
103.01
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
110.04
Supplementary Information
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