COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009072
Chemical Name: 2-{(2Z)-2-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzonitrile
Smiles: N#Cc1ccccc1N/N=C\1/C(=NN(C1=O)c1scc(n1)C(C)(C)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 473.52
Empirical Formula: C23H19N7O3S

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 3.944
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 167
Number of rings: 4

     

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