COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK938547
Chemical Name: methyl5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-hydroxy-4-(2-nitrophenyl)-3,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)CSC1=C(C#N)C(C(C(=N1)O)C(=O)OC)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 419.42
Empirical Formula: C18H17N3O7S

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 3.596
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 180
Number of rings: 2

     

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