COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK122837
Chemical Name: ethyl4-[({[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1C(Oc1ccccc1)C

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Molecular Weight: 454.55
Empirical Formula: C23H26N4O4S

Physical State: Dry powder
Available Amount: 279 mg

Lipinsky:
logP: 5.415
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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