COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000517
Chemical Name: 2-[(Z)-(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonicacid
Smiles: CC1=C/C(=C(/c2ccccc2S(=O)(=O)O)\c2cc(C)c(c(c2)Br)O)/C=C(C1=O)Br

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Molecular Weight: 540.23
Empirical Formula: C21H16Br2O5S

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 4.396
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 100
Number of rings: 3

     

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