SMILES:
O=C(N[C@@H](CCCNc1cccc2cccnc12)C(=O)O)c1ccc(CNCc2ccccn2)cc1Molecular Processing
Molecular formula
C28H29N5O3
Molecular weight
483.57
Exact mass
483.227
XLogP
3.99
TPSA
116.24
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
139.58
Supplementary Information
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