COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK665940
Chemical Name: 4-({[4-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: COc1cc(cc(c1OC)OC)c1nnc(n1c1ccc2c(c1)OCO2)SCc1ccc(cc1)C#N

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Molecular Weight: 502.55
Empirical Formula: C26H22N4O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.319
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 125
Number of rings: 5

     

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