이름: 4-(2-Fluoro-4-iodophenylamino)-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (2-hydroxy-1,1-dimethylethoxy)-amide
SMILES:
COc1ccc(Cn2ncc3c(Nc4ccc(I)cc4F)c(C(=O)NOC(C)(C)CO)cnc32)cc1Molecular Processing
Molecular formula
C25H25FIN5O4
Molecular weight
605.41
Exact mass
605.0935
XLogP
4.41
TPSA
110.53
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
141.74
Supplementary Information
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