COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK555930
Chemical Name: 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Smiles: N#CC12C(=N)OC(OC1c1cccs1)(C(C2(C#N)C#N)C)C

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Molecular Weight: 312.35
Empirical Formula: C15H12N4O2S

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 2.708
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 141
Number of rings: 4

     

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