COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL336046
Chemical Name: [(4-bromophenyl)sulfonyl]{3-[4-(cyclohex-3-en-1-yl)pyridinium-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}azanide
Smiles: Brc1ccc(cc1)S(=O)(=O)[N-]C1=C([n+]2ccc(cc2)C2CCC=CC2)C(=O)c2c(C1=O)cccc2

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Molecular Weight: 549.44
Empirical Formula: C27H21BrN2O4S

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 0
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 80
Number of rings: 5

     

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