COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050003
Chemical Name: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1c1cccc(c1)Cl

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Molecular Weight: 464.93
Empirical Formula: C23H17ClN4O3S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 7.543
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 4

     

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