COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK079869
Chemical Name: 2-[(E)-(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(3,5-dibromo-2-methylphenyl)methyl]benzenesulfonicacid-methanol(1:1)
Smiles: Brc1cc(Br)c(c(c1)/C(=C\1/C=C(Br)C(=O)C(=C1C)Br)/c1ccccc1S(=O)(=O)O)C.OC

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Molecular Weight: 714.06
Empirical Formula: C22H18Br4O5S

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 100
Number of rings: 3

     

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