COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK331832
Chemical Name: diethyl(4R,5R)-2-(2-amino-1-cyano-2-oxoethylidene)-1,3-dithiolane-4,5-dicarboxylate
Smiles: CCOC(=O)[C@H]1S/C(=C(\C(=O)N)/C#N)/S[C@@H]1C(=O)OCC

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Molecular Weight: 330.39
Empirical Formula: C12H14N2O5S2

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 2.505
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 170
Number of rings: 1

     

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