COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK331050
Chemical Name: 2-[(E)-(3,5-dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonicacid
Smiles: BrC1=C/C(=C(\c2ccccc2S(=O)(=O)O)/c2cc(Br)c(c(c2C)Br)O)/C(=C(C1=O)Br)C

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Molecular Weight: 698.02
Empirical Formula: C21H14Br4O5S

Physical State: Dry powder
Available Amount: 345 mg

Lipinsky:
logP: 5.755
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 100
Number of rings: 3

     

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