COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554573
Chemical Name: ethyl4-(3-{[(4-bromophenyl)sulfonyl]amino}-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(cc2)Br)C(=O)c2c(C1=O)cccc2

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Molecular Weight: 548.41
Empirical Formula: C23H22BrN3O6S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.495
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 121
Number of rings: 4

     

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