COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK015263
Chemical Name: 4,4'-(pyridin-3-ylmethanediyl)bis{1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)-1H-pyrazol-5-ol}
Smiles: Cc1ccc(cc1)c1csc(n1)n1nc(c(c1O)C(c1c(nn(c1O)c1scc(n1)c1ccc(cc1)C)c1ccc(cc1)[N+](=O)[O-])c1cccnc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 845.92
Empirical Formula: C44H31N9O6S2

Physical State: Dry powder
Available Amount: 152 mg

Lipinsky:
logP: 8.905
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 262
Number of rings: 9

     

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