COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK202419
Chemical Name: 2-{[5-(3-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(c(c1)Cl)C

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Molecular Weight: 428.9
Empirical Formula: C20H17ClN4O3S

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 6.182
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 3

     

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