COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK037841
Chemical Name: 4-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/1\C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])C(=S)N

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Molecular Weight: 412.39
Empirical Formula: C17H12N6O5S

Physical State: Dry powder
Available Amount: 213 mg

Lipinsky:
logP: 1.373
Rotatable bonds: 1
H-donors: 4
H-acceptors: 5
PSA: 198
Number of rings: 3

     

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