COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186801
Chemical Name: 2-({5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])nnc1COc1ccc(cc1C)C

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Molecular Weight: 467.55
Empirical Formula: C23H25N5O4S

Physical State: Dry powder
Available Amount: 135 mg

Lipinsky:
logP: 5.918
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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