COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK721941
Chemical Name: methyl(4E)-4-(4-bromophenyl)-4-[5-(4-bromophenyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]butanoate
Smiles: COC(=O)CC/C(=C\1/C=C(NC1=O)c1ccc(cc1)Br)/c1ccc(cc1)Br

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Molecular Weight: 491.18
Empirical Formula: C21H17Br2NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.86
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 55
Number of rings: 3

     

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