COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035325
Chemical Name: (2E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-nitrobenzylidene)hydrazinecarbothioamide
Smiles: S=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)N/N=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 410.46
Empirical Formula: C19H18N6O3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.063
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 137
Number of rings: 3

     

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