COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK022460
Chemical Name: 4-{(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}-2-hydroxybenzoicacid
Smiles: NC(=S)N1N=C(/C(=N\Nc2ccc(c(c2)O)C(=O)O)/C1=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 428.39
Empirical Formula: C17H12N6O6S

Physical State: Dry powder
Available Amount: 275 mg

Lipinsky:
logP: 1.924
Rotatable bonds: 3
H-donors: 5
H-acceptors: 6
PSA: 218
Number of rings: 3

     

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