COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK120910
Chemical Name: 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl4-methylbenzoate
Smiles: Cc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 409.42
Empirical Formula: C20H15N3O5S

Physical State: Dry powder
Available Amount: 410 mg

Lipinsky:
logP: 6.139
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 136
Number of rings: 3

     

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