SMILES:
Cc1cc(NC(=O)Nc2ccc(-c3nc4c(c(N5CCOCC5C)n3)CCN(c3ncccn3)C4)cc2)on1Molecular Processing
Molecular formula
C27H29N9O3
Molecular weight
527.59
Exact mass
527.2393
XLogP
3.66
TPSA
134.43
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
39
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
145.76
Supplementary Information
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