COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK727603
Chemical Name: (3E)-5-(2,4-dimethylphenyl)-3-(4-methyl-3-nitrobenzylidene)furan-2(3H)-one
Smiles: Cc1ccc(c(c1)C)C1=C/C(=C\c2ccc(c(c2)[N+](=O)[O-])C)/C(=O)O1

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Molecular Weight: 335.36
Empirical Formula: C20H17NO4

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 5.43
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 72
Number of rings: 3

     

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