Название: 2-((2-(5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)methyl)cyclohexanol
SMILES:
Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(NCC4CCCCC4O)n3)c3cc(Cl)cnc32)cc1Molecular Processing
Molecular formula
C25H25ClFN5O3S
Molecular weight
530.03
Exact mass
529.1351
XLogP
4.79
TPSA
110
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
135.94
Supplementary Information
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