COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK117760
Chemical Name: 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)O)nnc1CNC(=O)c1ccc(c(c1)OC)OC

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Molecular Weight: 499.55
Empirical Formula: C23H25N5O6S

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 2.931
Rotatable bonds: 10
H-donors: 3
H-acceptors: 6
PSA: 169
Number of rings: 3

     

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