COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL011993
Chemical Name: 1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl2-bromobenzoate
Smiles: C=CCN1C(=C(OC(=O)c2ccccc2Br)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

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Molecular Weight: 524.39
Empirical Formula: C25H18BrNO5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.44
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 89
Number of rings: 4

     

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