COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL004512
Chemical Name: ethyl4-{5-cyano-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl}piperazine-1-carboxylate
Smiles: CCCCCCN1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)C(=O)OCC)C)/C1=O

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Molecular Weight: 531.7
Empirical Formula: C25H33N5O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.258
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 154
Number of rings: 3

     

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