COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136687
Chemical Name: methyl4-[({[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 503.54
Empirical Formula: C25H21N5O5S

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 6.316
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 157
Number of rings: 4

     

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