COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK958162
Chemical Name: 1-(4-bromophenyl)-2-{[5-{[(4-iodophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1CNc1ccc(cc1)I

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Molecular Weight: 569.26
Empirical Formula: C20H18BrIN4OS

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 6.276
Rotatable bonds: 7
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 3

     

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