COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK123556
Chemical Name: 4-[({[5-(1-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)O)nnc1C(NC(=O)c1ccc(cc1)Cl)C

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Molecular Weight: 487.97
Empirical Formula: C22H22ClN5O4S

Physical State: Dry powder
Available Amount: 231 mg

Lipinsky:
logP: 4.334
Rotatable bonds: 7
H-donors: 3
H-acceptors: 4
PSA: 151
Number of rings: 3

     

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