COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297547
Chemical Name: methyl(5E)-5-{1-[(4-bromophenyl)amino]propylidene}-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C(/Nc2ccc(cc2)Br)\CC)/C(=O)CC1(C)C

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Molecular Weight: 408.29
Empirical Formula: C19H22BrNO4

Available Amount: 0 mg

Lipinsky:
logP: 4.156
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 72
Number of rings: 2

     

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