COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK753679
Chemical Name: (5R,6R)-6-(3-nitro-1H-1,2,4-triazol-1-yl)-5-phenyl-3-(thiophen-2-yl)cyclohex-2-en-1-one
Smiles: O=C1C=C(C[C@@H]([C@H]1n1cnc(n1)[N+](=O)[O-])c1ccccc1)c1cccs1

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Molecular Weight: 366.4
Empirical Formula: C18H14N4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.075
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 121
Number of rings: 4

     

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