COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL139269
Chemical Name: 4-methyl-N-(2-{5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Smiles: C=CCn1c(CCNC(=O)c2ccc(cc2)C)nnc1SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 437.52
Empirical Formula: C22H23N5O3S

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 4.421
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 130
Number of rings: 3

     

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