COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK672834
Chemical Name: (5S,6R)-6-(5-nitro-2H-tetrazol-2-yl)-5-(thiophen-2-yl)-3-[(E)-2-(thiophen-2-yl)ethenyl]cyclohex-2-en-1-one
Smiles: O=C1C=C(/C=C/c2cccs2)C[C@@H]([C@H]1n1nnc(n1)[N+](=O)[O-])c1cccs1

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Molecular Weight: 399.45
Empirical Formula: C17H13N5O3S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.594
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 162
Number of rings: 4

     

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