COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK003364
Chemical Name: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,5-dimethoxyphenyl)ethanone
Smiles: COc1ccc(c(c1)C(=O)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1)OC

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Molecular Weight: 511.4
Empirical Formula: C23H19BrN4O3S

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 6.483
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 104
Number of rings: 4

     

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