COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK847053
Chemical Name: methyl{[3-cyano-6-hydroxy-4-(3-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(CC(=N1)O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 347.35
Empirical Formula: C15H13N3O5S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.471
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 153
Number of rings: 2

     

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