CCc1cnn(C2CC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CCC(NC(=O)NCc6ccncc6)C5)nc43)C(O)C2O)c1
SMILES: CCc1cnn(C2CC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CCC(NC(=O)NCc6ccncc6)C5)nc43)C(O)C2O)c1

Molecular Processing

Molecular formula
C40H45N11O3
Molecular weight
727.87
Exact mass
727.3707
XLogP
4.21
TPSA
171.17
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
54
Rings
8
Aromatic rings
6
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
205.08

Supplementary Information

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