COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL115847
Chemical Name: 2-amino-4-benzyl-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nc(c(c1Cc1ccccc1)C#N)N

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Molecular Weight: 429.46
Empirical Formula: C22H15N5O3S

Physical State: Dry powder
Available Amount: 38 mg

Lipinsky:
logP: 6.03
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 174
Number of rings: 3

     

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