COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK364863
Chemical Name: (3E)-5-(4-bromophenyl)-3-{4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}furan-2(3H)-one
Smiles: Brc1ccc(cc1)C1=C/C(=C\c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)/C(=O)O1

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Molecular Weight: 532.27
Empirical Formula: C24H13BrF3NO5

Physical State: Dry powder
Available Amount: 194 mg

Lipinsky:
logP: 6.752
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 81
Number of rings: 4

     

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