COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148973
Chemical Name: butyl{[3-cyano-6-hydroxy-4-(3-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: CCCCOC(=O)CSC1=C(C#N)C(CC(=N1)O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 389.43
Empirical Formula: C18H19N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.065
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 153
Number of rings: 2

     

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