COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527248
Chemical Name: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Br)NC(=O)C(C21CCCCC2)C#N

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Molecular Weight: 444.35
Empirical Formula: C20H18BrN3O2S

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 5.126
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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