COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK758608
Chemical Name: {2-[(4-methylphenyl)sulfanyl]-1-(3-nitrophenyl)-3-oxo-3-phenylpropyl}propanedinitrile(non-preferredname)
Smiles: N#CC(C(C(C(=O)c1ccccc1)Sc1ccc(cc1)C)c1cccc(c1)[N+](=O)[O-])C#N

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Molecular Weight: 441.51
Empirical Formula: C25H19N3O3S

Physical State: Dry powder
Available Amount: 21 mg

Lipinsky:
logP: 6.637
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 135
Number of rings: 3

     

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