COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK147510
Chemical Name: methyl2-[({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 453.48
Empirical Formula: C21H19N5O5S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 5.227
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 157
Number of rings: 3

     

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