COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL402900
Chemical Name: (5Z)-2-{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Smiles: Cn1nc(c(c1)CN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/S1)C

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Molecular Weight: 426.5
Empirical Formula: C20H22N6O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.565
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 124
Number of rings: 4

     

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