COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK081006
Chemical Name: 4,4'-[(4-chlorophenyl)methanediyl]bis{1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)-1H-pyrazol-5-ol}
Smiles: Clc1ccc(cc1)C(c1c(nn(c1O)c1scc(n1)c1ccc(cc1)C)c1ccc(cc1)[N+](=O)[O-])c1c(nn(c1O)c1scc(n1)c1ccc(cc1)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 879.38
Empirical Formula: C45H31ClN8O6S2

Physical State: Dry powder
Available Amount: 161 mg

Lipinsky:
logP: 10.993
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 250
Number of rings: 9

     

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