COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245563
Chemical Name: N-(1-{4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-methylpropyl)benzamide
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1C(C(C)C)NC(=O)c1ccccc1

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Molecular Weight: 439.54
Empirical Formula: C22H25N5O3S

Physical State: Dry powder
Available Amount: 133 mg

Lipinsky:
logP: 4.722
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 130
Number of rings: 3

     

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