Name: 4-(8-(3-(9-(4-methoxybenzyl)-9H-purin-6-yl)pyridin-2-ylamino)-7-methylquinazolin-4-ylamino)benzonitrile
SMILES:
COc1ccc(Cn2cnc3c(-c4cccnc4Nc4c(C)ccc5c(Nc6ccc(C#N)cc6)ncnc45)ncnc32)cc1Molecular Processing
Molecular formula
C34H26N10O
Molecular weight
590.65
Exact mass
590.2291
XLogP
6.56
TPSA
139.35
H-bond donors
2
H-bond acceptors
10
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
11
Covalent units
1
Fraction Csp3
0.088
Molar refractivity
172.65
Supplementary Information
Details werden geladen…
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