COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001839
Chemical Name: 6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile
Smiles: CCCCCN1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)CC)C)/C1=O

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Molecular Weight: 473.66
Empirical Formula: C23H31N5O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.221
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 128
Number of rings: 3

     

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