COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK877421
Chemical Name: (3E)-5-(4-bromophenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]furan-2(3H)-one
Smiles: Brc1ccc(cc1)C1=C/C(=C\c2cc3OCOc3cc2[N+](=O)[O-])/C(=O)O1

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Molecular Weight: 416.18
Empirical Formula: C18H10BrNO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.121
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 90
Number of rings: 4

     

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