COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058849
Chemical Name: 4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetrabenzenesulfonate
Smiles: [O-]S(=O)(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccc(cc1)S(=O)(=O)[O-])/C=C3)\c1ccc(cc1)S(=O)(=O)[O-])/[nH]2)/c1ccc(cc1)S(=O)(=O)[O-]

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Saltdata: 4Na+
Molecular Weight: 930.97
Empirical Formula: C44H26N4O12S4

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 5.011
Rotatable bonds: 0
H-donors: 2
H-acceptors: 12
PSA: 314
Number of rings: 9

     

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