CCc1cnn(C2CC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CCC(NC(=O)OC(C)(C)C)C5)nc43)C(O)C2O)n1
SMILES: CCc1cnn(C2CC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CCC(NC(=O)OC(C)(C)C)C5)nc43)C(O)C2O)n1

Molecular Processing

Molecular formula
C37H46N10O4
Molecular weight
694.84
Exact mass
694.3703
XLogP
4.24
TPSA
168.37
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
51
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.459
Molar refractivity
192.63

Supplementary Information

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