COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK450347
Chemical Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(1H-pyrrol-1-yl)phenyl]-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(cc1OC)CCn1c(S)nnc1c1ccc(cc1)n1cccc1

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Molecular Weight: 406.51
Empirical Formula: C22H22N4O2S

Physical State: Dry powder
Available Amount: 485 mg

Lipinsky:
logP: 5.532
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 92
Number of rings: 4

     

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