COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK061200
Chemical Name: methyl[(3-cyano-4-oxo-1-thia-5-azaspiro[5.5]undec-2-en-2-yl)sulfanyl]acetate
Smiles: COC(=O)CSC1=C(C#N)C(=O)NC2(S1)CCCCC2

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Molecular Weight: 312.41
Empirical Formula: C13H16N2O3S2

Physical State: Dry powder
Available Amount: 440 mg

Lipinsky:
logP: 2.638
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 129
Number of rings: 2

     

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