이름: (2S,3R)-2-amino-N-{1-[5-(1,3-dimethyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-cyclopropyl}-3-hydroxy-butyramide hydrochloride
SMILES:
Cc1nn(C)cc1-c1cnc(C2(NC(=O)[C@@H](N)[C@@H](C)O)CC2)nc1.ClMolecular Processing
Molecular formula
C16H23ClN6O2
Molecular weight
366.85
Exact mass
366.1571
XLogP
0.42
TPSA
118.95
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
94.93
Supplementary Information
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