COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192605
Chemical Name: (3E)-5-(4-bromophenyl)-3-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}furan-2(3H)-one
Smiles: Brc1ccc(cc1)C1=C/C(=C\c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])/C(=O)O1

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Molecular Weight: 472.68
Empirical Formula: C21H11BrClNO5

Physical State: Dry powder
Available Amount: 189 mg

Lipinsky:
logP: 6.639
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 85
Number of rings: 4

     

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