الاسم: 4-{1-[5-(1-hydroxymethyl-cyclopropyl)-isoxazol-3-ylcarbamoyl]-1H-indol-5-yloxy}-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1Cc2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cc(C5(CO)CC5)on4)c3)c2C1Molecular Processing
Molecular formula
C27H28N6O6
Molecular weight
532.56
Exact mass
532.207
XLogP
4.57
TPSA
144.84
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
39
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
138.44
Supplementary Information
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