SMILES:
COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(CN5CCN(C)CC5)s4)ccc23)c(Cl)cc1ClMolecular Processing
Molecular formula
C27H25Cl2N5OS
Molecular weight
538.5
Exact mass
537.1157
XLogP
6.64
TPSA
64.42
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
148.84
Supplementary Information
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