COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK905713
Chemical Name: 5-(4-benzylpiperidin-1-yl)-2-[(E)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
Smiles: CCN1C(=S)S/C(=C/c2oc(c(n2)C#N)N2CCC(CC2)Cc2ccccc2)/C1=O

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Molecular Weight: 438.57
Empirical Formula: C22H22N4O2S2

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 2.601
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 130
Number of rings: 4

     

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