COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK160020
Chemical Name: methyl(4Z)-4-(4-bromobenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Smiles: CCN1C(=O)/C(=C\c2ccc(cc2)Br)/C(=C1C)C(=O)OC

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Molecular Weight: 350.21
Empirical Formula: C16H16BrNO3

Physical State: Dry powder
Available Amount: 135 mg

Lipinsky:
logP: 3.48
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 46
Number of rings: 2

     

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