COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL401605
Chemical Name: (2E)-3-(4-bromothiophen-2-yl)-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Smiles: Brc1csc(c1)/C=C/C(=O)c1c(C)nn(c1C)C

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Molecular Weight: 325.23
Empirical Formula: C13H13BrN2OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.902
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 63
Number of rings: 2

     

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