COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK313887
Chemical Name: 4-bromo-3-{(E)-[(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Smiles: Oc1ccc(c(c1)/C=N/n1c(nnc1C)SCn1nc(c(c1C)[N+](=O)[O-])C)Br

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Molecular Weight: 466.32
Empirical Formula: C16H16BrN7O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.762
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 152
Number of rings: 3

     

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