COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK233131
Chemical Name: 2-{[4-(3-chloro-4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1c1ccc(c(c1)Cl)C)c1ccncc1

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Molecular Weight: 465.92
Empirical Formula: C22H16ClN5O3S

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 6.081
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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