Name: 3-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-oxopropanenitrile
SMILES:
N#CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1Molecular Processing
Molecular formula
C25H22FN7O2
Molecular weight
471.5
Exact mass
471.1819
XLogP
4.08
TPSA
122.95
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
126.73
Supplementary Information
Details werden geladen…
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