SMILES:
Fc1cccc(COc2ccc(Nc3ncnc4sc5c(c34)CCc3nn(C4CCNCC4)cc3-5)cc2Cl)c1Molecular Processing
Molecular formula
C29H26ClFN6OS
Molecular weight
561.09
Exact mass
560.1561
XLogP
6.69
TPSA
76.89
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
39
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
152.65
Supplementary Information
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