COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK776732
Chemical Name: methyl4,5-dimethoxy-2-[({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: C=CCn1c(SCC(=O)Nc2cc(OC)c(cc2C(=O)OC)OC)nnc1c1cccs1

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Molecular Weight: 474.56
Empirical Formula: C21H22N4O5S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.086
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 158
Number of rings: 3

     

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