COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK161655
Chemical Name: 4-{(Z)-[1-(4-bromophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoicacid
Smiles: COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)c1ccc(cc1)Br

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Molecular Weight: 442.27
Empirical Formula: C21H16BrNO5

Physical State: Dry powder
Available Amount: 427 mg

Lipinsky:
logP: 3.767
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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