SMILES:
CCNC(=O)C1OC(n2cnc3c(N)nc(C#CCC4CCC(C(=O)NC)CC4)nc32)C(O)C1OMolecular Processing
Molecular formula
C23H31N7O5
Molecular weight
485.55
Exact mass
485.2387
XLogP
-0.54
TPSA
177.51
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.609
Molar refractivity
125.35
Supplementary Information
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