COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531931
Chemical Name: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[(5E)-5-(3-{4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-oxobutyl}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4-oxo
Smiles: O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCC(=O)Nc2c(C)n(n(c2=O)c2ccccc2)C)/C1=O

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Molecular Weight: 805
Empirical Formula: C36H36N8O6S4

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: -1.693
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 260
Number of rings: 6

     

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