COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK043417
Chemical Name: 4-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)C#N)nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 454.6
Empirical Formula: C27H26N4OS

Physical State: Dry powder
Available Amount: 409 mg

Lipinsky:
logP: 7.871
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 89
Number of rings: 4

     

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