COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK329412
Chemical Name: 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonicacid
Smiles: O=C1C(=C/C(=C(\c2ccccc2S(=O)(=O)O)/c2cc(Br)c(c(c2)Br)O)/C=C1Br)Br

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Saltdata: NH3
Molecular Weight: 669.97
Empirical Formula: C19H10Br4O5S

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 4.704
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 100
Number of rings: 3

     

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