SMILES:
CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5nc6ccccc6s5)cc4)c4c(N)ncnc43)CC2)CC1Molecular Processing
Molecular formula
C29H33N9S
Molecular weight
539.71
Exact mass
539.258
XLogP
5.16
TPSA
101.02
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
39
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
158.44
Supplementary Information
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