COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053429
Chemical Name: 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide
Smiles: CCCC1=NN(C(=O)/C/1=C/NCC1CCN(CC1)C(=S)Nc1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 506.63
Empirical Formula: C26H30N6O3S

Physical State: Dry powder
Available Amount: 837 mg

Lipinsky:
logP: 3.247
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 137
Number of rings: 4

     

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