COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK733146
Chemical Name: 1-(4-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)ethanone
Smiles: COc1cccc(c1)c1nnc(n1c1ccccc1)Sc1ccc(cc1[N+](=O)[O-])C(=O)C

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Molecular Weight: 446.49
Empirical Formula: C23H18N4O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.802
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 4

     

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