الاسم: (S)-1-(4-(1-methyl-7-(3-methylmorpholino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl)-3-(oxetan-3-yl)urea
SMILES:
C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NC3COC3)cc2)nc2cnn(C)c12Molecular Processing
Molecular formula
C21H25N7O3
Molecular weight
423.48
Exact mass
423.2019
XLogP
1.78
TPSA
106.43
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
116.13
Supplementary Information
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