COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK087557
Chemical Name: 2-{(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenylbenzenesulfonate
Smiles: CC1=NN(C(=O)/C/1=C/c1ccccc1OS(=O)(=O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 463.47
Empirical Formula: C23H17N3O6S

Physical State: Dry powder
Available Amount: 505 mg

Lipinsky:
logP: 3.885
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 130
Number of rings: 4

     

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