COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK124518
Chemical Name: 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl4-nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])OCC#CCSc1nnc(o1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 440.39
Empirical Formula: C19H12N4O7S

Physical State: Dry powder
Available Amount: 499 mg

Lipinsky:
logP: 5.282
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 182
Number of rings: 3

     

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