CC(=O)N1CC[C@@H](n2cnc3c(cc(Cc4ccc(Cl)nc4)c4ccccc43)c2=O)[C@H](O)C1
SMILES: CC(=O)N1CC[C@@H](n2cnc3c(cc(Cc4ccc(Cl)nc4)c4ccccc43)c2=O)[C@H](O)C1

Molecular Processing

Molecular formula
C25H23ClN4O3
Molecular weight
462.94
Exact mass
462.1459
XLogP
3.34
TPSA
88.32
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
127.48

Supplementary Information

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