COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK139376
Chemical Name: methyl2-[({[5-(3-methylphenyl)-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)nnc1c1cccc(c1)C

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Molecular Weight: 422.51
Empirical Formula: C22H22N4O3S

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 5.726
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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