COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK931906
Chemical Name: methyl5-cyano-6-(ethylsulfanyl)-2-hydroxy-4-(2-nitrophenyl)-3,4-dihydropyridine-3-carboxylate
Smiles: CCSC1=C(C#N)C(C(C(=N1)O)C(=O)OC)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 361.38
Empirical Formula: C16H15N3O5S

Physical State: Dry powder
Available Amount: 133 mg

Lipinsky:
logP: 3.029
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 153
Number of rings: 2

     

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