COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL070004
Chemical Name: 4-[2-({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide
Smiles: CCCC1=NN(C(=O)/C/1=C/NCCN1CCN(CC1)C(=S)Nc1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 521.64
Empirical Formula: C26H31N7O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.682
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 141
Number of rings: 4

     

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