Name: 4-(5-(3-(9-(4-methoxybenzyl)-9H-purin-6-yl)pyridin-2-ylamino)-6-methylisoquinolin-1-ylamino)benzonitrile
SMILES:
COc1ccc(Cn2cnc3c(-c4cccnc4Nc4c(C)ccc5c(Nc6ccc(C#N)cc6)nccc45)ncnc32)cc1Molecular Processing
Molecular formula
C35H27N9O
Molecular weight
589.66
Exact mass
589.2339
XLogP
7.16
TPSA
126.46
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
45
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.086
Molar refractivity
174.85
Supplementary Information
Details werden geladen…
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