Name: 3-(4-Amino-1-((8-methyl-1-oxo-2-o-tolyl-1,2-dihydroisoquinolin-3-yl)methyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl diethyl phosphate
SMILES:
CCOP(=O)(OCC)Oc1cc(F)cc(-c2nn(Cc3cc4cccc(C)c4c(=O)n3-c3ccccc3C)c3ncnc(N)c23)c1Molecular Processing
Molecular formula
C33H32FN6O5P
Molecular weight
642.63
Exact mass
642.2156
XLogP
6.74
TPSA
136.38
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
46
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.212
Molar refractivity
174.74
Supplementary Information
Details werden geladen…
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