CNC(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@H]4CN5C(=O)OC(C)(C)C)cn3)nc2n1C1CCCC1
SMILES: CNC(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@H]4CN5C(=O)OC(C)(C)C)cn3)nc2n1C1CCCC1

Molecular Processing

Molecular formula
C29H36N8O4
Molecular weight
560.66
Exact mass
560.286
XLogP
3.88
TPSA
134.58
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
41
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.517
Molar refractivity
152.11

Supplementary Information

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