Name: 6-{[5-({(1R,2S)-2-[(tert-butoxycarbonyl)amino]cyclohexyl}amino)-2-carbamoylpyridin-3-yl]amino}-2-methylpyridine-3-carboxylic acid
SMILES:
Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)ccc1C(=O)O.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C21H25F3N6O5
Molecular weight
498.46
Exact mass
498.1839
XLogP
2.64
TPSA
193.55
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.381
Molar refractivity
119.52
Supplementary Information
Details werden geladen…
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