COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK959506
Chemical Name: (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl){4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methanone
Smiles: Cc1ccc(cc1)Sc1ccc(cc1[N+](=O)[O-])C(=O)n1nc(c(c1C)Br)C

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Molecular Weight: 446.32
Empirical Formula: C19H16BrN3O3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 6.982
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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