SMILES:
CC1(C)CCC(=O)Nc2ccc(Nc3ncc(Cl)c(Nc4ccc(N5CCC(C(=O)O)CC5)cc4-n4cccn4)n3)cc21Molecular Processing
Molecular formula
C31H33ClN8O3
Molecular weight
601.11
Exact mass
600.2364
XLogP
6.11
TPSA
137.3
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
43
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
167.08
Supplementary Information
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