Cc1c[nH]c2cccc(-c3nc4c(c(N5CCN(CC(N)=O)[C@H](C)C5)n3)CN(c3cc(C(C)C)nn3C)CC4)c12
SMILES: Cc1c[nH]c2cccc(-c3nc4c(c(N5CCN(CC(N)=O)[C@H](C)C5)n3)CN(c3cc(C(C)C)nn3C)CC4)c12

Molecular Processing

Molecular formula
C30H39N9O
Molecular weight
541.7
Exact mass
541.3278
XLogP
3.35
TPSA
112.2
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
40
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
158.56

Supplementary Information

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