COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206717
Chemical Name: methyl2-({(1E)-1-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Smiles: COC(=O)c1ccccc1N/C(=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/C

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Molecular Weight: 394.39
Empirical Formula: C20H18N4O5

Physical State: Dry powder
Available Amount: 477 mg

Lipinsky:
logP: 3.593
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 116
Number of rings: 3

     

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