COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057796
Chemical Name: 2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1Cc1ccccc1)c1ccncc1

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Molecular Weight: 431.47
Empirical Formula: C22H17N5O3S

Physical State: Dry powder
Available Amount: 700 mg

Lipinsky:
logP: 4.683
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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