COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK697286
Chemical Name: ethyl4-[({[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1Cc1cccs1

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Molecular Weight: 442.56
Empirical Formula: C21H22N4O3S2

Physical State: Dry powder
Available Amount: 15 mg

Lipinsky:
logP: 5.214
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 139
Number of rings: 3

     

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