SMILES:
CC(=O)Nc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1Molecular Processing
Molecular formula
C22H23N9O2S
Molecular weight
477.55
Exact mass
477.1695
XLogP
2.83
TPSA
123.84
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
126.12
Supplementary Information
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