COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806729
Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)-1-[3-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-4-yl]prop-2-en-1-one
Smiles: C#CCSc1nncn1C(=O)/C=C/c1ccc(c(c1)OC)OC

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Molecular Weight: 329.38
Empirical Formula: C16H15N3O3S

Physical State: Dry powder
Available Amount: 237 mg

Lipinsky:
logP: 2.979
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 2

     

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