COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL298387
Chemical Name: (2E)-3-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(thiophen-2-yl)prop-2-en-1-one
Smiles: COc1ccc(cc1Cn1nc(c(c1C)Br)C)/C=C/C(=O)c1cccs1

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Molecular Weight: 431.35
Empirical Formula: C20H19BrN2O2S

Available Amount: 0 mg

Lipinsky:
logP: 5.166
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 72
Number of rings: 3

     

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