SMILES:
O=C1CSc2ccc(N3C[C@@H](CCCN[C@@H]4CN5C(=O)CNc6cccc4c65)OC3=O)cc2N1Molecular Processing
Molecular formula
C24H25N5O4S
Molecular weight
479.56
Exact mass
479.1627
XLogP
2.94
TPSA
103.01
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
34
Rings
6
Aromatic rings
2
Saturated rings
1
Aliphatic rings
4
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
130.67
Supplementary Information
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