COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK221687
Chemical Name: 2-[5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)N2CCc3c(C2)cccc3)nnc1CC(=O)Nc1ccccc1C

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Molecular Weight: 461.59
Empirical Formula: C25H27N5O2S

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 4.599
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 105
Number of rings: 4

     

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