SMILES:
COc1cnc(C(=O)Nc2cccc([C@]34CN(c5ncc(F)cn5)C[C@H]3CSC(N)=N4)c2)cn1Molecular Processing
Molecular formula
C22H21FN8O2S
Molecular weight
480.53
Exact mass
480.1492
XLogP
2.06
TPSA
131.51
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
126.43
Supplementary Information
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