SMILES:
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(Cl)c(-c3cccc(CN4CCNCC4)c3)c2)c1Molecular Processing
Molecular formula
C42H49ClN8O3
Molecular weight
749.36
Exact mass
748.3616
XLogP
6.19
TPSA
125.44
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
54
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
213.86
Supplementary Information
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