الاسم: 3,5-dichloro-4-[4-(6-hydroxymethyl-pyrimidin-4-ylamino)-pyrazolo[4,3-c]pyridin-2-yl]-benzonitrile
SMILES:
N#Cc1cc(Cl)c(-n2cc3c(Nc4cc(CO)ncn4)nccc3n2)c(Cl)c1Molecular Processing
Molecular formula
C18H11Cl2N7O
Molecular weight
412.24
Exact mass
411.0402
XLogP
3.62
TPSA
112.54
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
104.84
Supplementary Information
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