COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK047036
Chemical Name: 4-[2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide
Smiles: N#CC(C(c1c(C)nn(c1O)C(=S)N)c1cccc(c1)[N+](=O)[O-])C#N

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Molecular Weight: 356.36
Empirical Formula: C15H12N6O3S

Physical State: Dry powder
Available Amount: 239 mg

Lipinsky:
logP: 0.866
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 189
Number of rings: 2

     

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