COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058892
Chemical Name: {4,4',4'',4'''-(porphyrin-5,10,15,20-tetrayl-kappa~2~N~21~,N~23~)tetrakis[1-(hydroxymethyl)pyridiniumato(2-)]}copper(4+)
Smiles: OC[n+]1ccc(cc1)C1=C2C=CC(=N2)C(=c2n3[Cu]n4c1ccc4C(=C1C=CC(=N1)C(=c3cc2)c1cc[n+](cc1)CO)c1cc[n+](cc1)CO)c1cc[n+](cc1)CO

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Saltdata: 4 Cl-
Molecular Weight: 804.37
Empirical Formula: C44H36CuN8O4

Physical State: Dry powder
Available Amount: 291 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 4
H-acceptors: 4
PSA: 129
Number of rings: 10

     

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