COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK865435
Chemical Name: 1-(4-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)ethanone
Smiles: COc1ccc(cc1OC)c1nnc(n1c1ccccc1)Sc1ccc(cc1[N+](=O)[O-])C(=O)C

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Molecular Weight: 476.51
Empirical Formula: C24H20N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.875
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 137
Number of rings: 4

     

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