COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL265315
Chemical Name: 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C(C)(C)C

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Saltdata: HBr
Molecular Weight: 502.59
Empirical Formula: C27H26N4O4S

Available Amount: 0 mg

Lipinsky:
logP: 7.473
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 4

     

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