SMILES:
O=CNc1nc(C(=NOCCOC=O)C(=O)NC2C(=O)N3C(C(=O)O)=C(C(CCO)Sc4nnn[nH]4)CS[C@H]23)cs1Molecular Processing
Molecular formula
C20H21N9O9S3
Molecular weight
627.64
Exact mass
627.0624
XLogP
-1.6
TPSA
251.28
H-bond donors
5
H-bond acceptors
16
Rotatable bonds
16
Heavy atoms
41
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
21
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
141.52
Supplementary Information
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