COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK267204
Chemical Name: 4-[({[5-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)O)nnc1c1ccc(c(c1)OC)OC

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Molecular Weight: 454.51
Empirical Formula: C22H22N4O5S

Physical State: Dry powder
Available Amount: 323 mg

Lipinsky:
logP: 5.164
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 140
Number of rings: 3

     

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