COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK124934
Chemical Name: 1-(4-nitrophenyl)-2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 425.42
Empirical Formula: C19H15N5O5S

Physical State: Dry powder
Available Amount: 71 mg

Lipinsky:
logP: 4.887
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 164
Number of rings: 3

     

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