COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245804
Chemical Name: 4-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)C#N)nnc1c1ccc(cc1)OC

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Molecular Weight: 390.47
Empirical Formula: C21H18N4O2S

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 4.892
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 106
Number of rings: 3

     

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