COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK450351
Chemical Name: 5-(1,3-benzodioxol-5-yl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(cc1OC)CCn1c(S)nnc1c1ccc2c(c1)OCO2

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Molecular Weight: 385.44
Empirical Formula: C19H19N3O4S

Physical State: Dry powder
Available Amount: 508 mg

Lipinsky:
logP: 4.082
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 106
Number of rings: 4

     

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