COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK111510
Chemical Name: 4-[(4-nitrophenyl)sulfanyl]but-2-yn-1-yl4-methylbenzoate
Smiles: Cc1ccc(cc1)C(=O)OCC#CCSc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 341.39
Empirical Formula: C18H15NO4S

Physical State: Dry powder
Available Amount: 163 mg

Lipinsky:
logP: 5.52
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 97
Number of rings: 2

     

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