COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK827295
Chemical Name: ethyl5-cyano-6-[(3-cyanopropyl)sulfanyl]-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CCCCSC1=C(C#N)C(C(=C(N1)c1ccccc1)C(=O)OCC)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 474.54
Empirical Formula: C25H22N4O4S

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 3.781
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 157
Number of rings: 3

     

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