CCc1cnn(C2CC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CCC(NC(=O)OC(C)(C)C)C5)nc43)C(O)C2O)c1
SMILES: CCc1cnn(C2CC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CCC(NC(=O)OC(C)(C)C)C5)nc43)C(O)C2O)c1

Molecular Processing

Molecular formula
C38H47N9O4
Molecular weight
693.85
Exact mass
693.3751
XLogP
4.84
TPSA
155.48
H-bond donors
4
H-bond acceptors
10
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
13
Covalent units
1
Fraction Csp3
0.447
Molar refractivity
194.84

Supplementary Information

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